Basic information
- CAS
76157-60-3- Standard SMILES
CCNC(=O)CN1CCC[C@H]1C(=O)O- InChIKey
KASRTNNPWVAGQE-ZETCQYMHSA-N- Molecular formula
- C9H16N2O3
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.11609238
Overview
antileukemic agent
Names & identifiers
- Preferred name
- N-ethylcarbaminomethyl-L-proline
- IUPAC
- (2S)-1-[2-(ethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
Names & synonyms
N-Ethylcarbaminomethyl-L-proline76157-60-3A-753L-Proline, 1-(2-(ethylamino)-2-oxoethyl)-RefChem:163343A 753DTXSID809975051-[2-(Ethylimino)-2-hydroxyethyl]proline1-[2-(Ethylimino)-2-hydroxyethyl]-L-proline
Database identifiers
- CAS
76157-60-3- PubChem CID
- 192063
- DTXSID
DTXSID80997505
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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