Basic information
- CAS
156210-17-2- Standard SMILES
O=C(O)CC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
OMPYJFAYYUEIPJ-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- 3-(1-Adamantylamino)-3-oxopropanoic acid
- IUPAC
- 3-(1-adamantylamino)-3-oxopropanoic acid
- English name
- AKOS BC-0532
- Molecular formula
- C13H19NO3
- Molecular weight
- 237.29
Names & synonyms
156210-17-23-(1-adamantylamino)-3-oxopropanoic acidDTXSID10354324RefChem:273167DTXCID40305384MFCD018387913-(Adamantan-1-ylamino)-3-oxopropanoic acidPropanoic acid, 3-oxo-3-(tricyclo[3.3.1.13,7]dec-1-ylamino)-3-(adamantan-1-yl)amino)-3-oxopropanoic acidN-Adamantan-1-yl-malonamic acidSMR000145119Oprea1_032357
Show more names
AKOS BC-0532CHEMBRDG-BB 40222533-(1-adamantylamino)-3-oxopropanoic acid(SALTDATA: FREE)
MLS000550991N-adamantylcarbamoylacetic acidCHEMBL1403435SCHEMBL27004562HMS2185J12ALBB-035051STL325111N-(1-adamantyl)-3-oxo-beta-alanine
Database identifiers
- CAS
156210-17-2- PubChem CID
- 768770
- DTXSID
DTXSID10354324- ChEMBL
CHEMBL1403435
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Boiling point
- 476.4 · 476.4±24.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.32(Predicted)
- 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
Suppliers8 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京毕科生物科技有限公司025-58906079 17352406906 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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