Basic information
- CAS
755039-53-3- Standard SMILES
CC[C@H](C(=O)OC)N(c1nc(Cl)ncc1[N+](=O)[O-])C1CCCC1- InChIKey
GXVLUDDQFWMGHW-SNVBAGLBSA-N- Molecular formula
- C14H19ClN4O4
- Average molar mass
- 342.78 g/mol
- Monoisotopic mass
- 342.10948277
Names & identifiers
- Preferred name
- (R)-Methyl 2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate
- IUPAC
- methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)-cyclopentylamino]butanoate
- English name
- Butanoic acid, 2-[(2-chloro-5-nitro-4-pyrimidinyl)cyclopentylamino]-, methyl ester, (2R)-
- Molecular formula
- C14H19ClN4O4
- Molecular weight
- 342.78
Names & synonyms
755039-53-3(R)-Methyl 2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoatemethyl (2R)-2-[(2-chloro-5-nitro-pyrimidin-4-yl)-cyclopentyl-amino]butanoateMFCD10565695BUTANOIC ACID, 2-[(2-CHLORO-5-NITRO-4-PYRIMIDINYL)CYCLOPENTYLAMINO]-, METHYL ESTER, (2R)-Methyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino]butanoatemethyl (2R)-2-[(2-chloro-5-nitropyrimidin-4-yl)-cyclopentylamino]butanoatemethyl (R)-2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoateSCHEMBL1288267DTXSID40729208GXVLUDDQFWMGHW-SNVBAGLBSA-N(R)-Methyl2-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)butanoate
Show more names
G18615A1-28276methyl (2R)-2-[(2-chloro-5-nitro-pyrimidin-4-yl)-(1-cyclopentyl)amino]butanoate
Database identifiers
- CAS
755039-53-3- PubChem CID
- 58405447
- DTXSID
DTXSID40729208
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers8 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
Related reactions
6 records
Compound notes
Loading…