Serine, N-((2-chloroethyl)nitrosocarbamoyl)-, methyl ester, L-
Basic information
- CAS
84993-76-0- Standard SMILES
COC(=O)[C@H](CO)NC(=O)N(CCCl)N=O- InChIKey
UMLGQTXHJBERAM-YFKPBYRVSA-N- Molecular formula
- C7H12ClN3O5
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 253.0465482
Names & identifiers
- Preferred name
- Serine, N-((2-chloroethyl)nitrosocarbamoyl)-, methyl ester, L-
- IUPAC
- methyl (2S)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxypropanoate
Names & synonyms
Ser CNUICIG 1735BRN 5555837Serine, N-((2-chloroethyl)nitrosocarbamoyl)-, methyl ester, L-L-N-((2-Chloroethyl)nitrosocarbamoyl)serine methyl ester84993-76-0Ester methylique de la N-((chloro-2-ethyl)nitrosocarbamoyl)-L-serine [French]DTXSID30234038Ester methylique de la N-((chloro-2-ethyl)nitrosocarbamoyl)-L-serineRefChem:380141DTXCID30156529Methyl N-[(2-chloroethyl)(nitroso)carbamoyl]-L-serinate
Database identifiers
- CAS
84993-76-0- PubChem CID
- 3069646
- DTXSID
DTXSID30234038- Nikkaji
- J153.521H
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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