methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate
Basic information
- CAS
907548-13-4- Standard SMILES
COC(=O)CCN(CCC(=O)OC)C1CC1- InChIKey
XPFPGQGFWHRWDG-UHFFFAOYSA-N- Molecular formula
- C11H19NO4
- Average molar mass
- 229.27 g/mol
Names & identifiers
- Preferred name
- methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninate
- IUPAC
- methyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoate
- English name
- 3-[Cyclopropyl-(2-methoxycarbonyl-ethyl)-amino]-propionic acid methyl ester
- Molecular formula
- C11H19NO4
- Molecular weight
- 229.27
Names & synonyms
907548-13-4methyl N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-beta-alaninateDimethyl 3,3'-(cyclopropylazanediyl)dipropanoatemethyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoateMFCD16314980NSC664268methyl 3-[cyclopropyl-(3-methoxy-3-oxo-propyl)amino]propanoatebeta-alanine, N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-, methyl esterMETHYL 3-[CYCLOPROPYL(3-METHOXY-3-OXOPROPYL)AMINO]PROPANOATE3-[Cyclopropyl-(2-methoxycarbonyl-ethyl)-amino]-propionic acid methyl esterCHEMBL1999755ALBB-026678
Show more names
3,3'-cyclopropyliminodipropanoic acid methyl esterβ-Alanine, N-cyclopropyl-N-(3-methoxy-3-oxopropyl)-, methyl ester3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoic acid methyl ester3-[cyclopropyl-(3-keto-3-methoxy-propyl)amino]propionic acid methyl ester
AKOS017258989NSC-664268BS-17823NCI60_022144CS-0150688D83558Dimethyl3,3'-(cyclopropylazanediyl)dipropanoateF375646
Database identifiers
- CAS
907548-13-4- ChEMBL
CHEMBL1999755- Nikkaji
- J2.535.931C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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