[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate

C8H11N3O3 — CID 175304766

IUPAC[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
SMILESN#CC(C[C@@H]1CCNC1=O)OC(N)=O
InChIInChI=1S/C8H11N3O3/c9-4-6(14-8(10)13)3-5-1-2-11-7(5)12/h5-6H,1-3H2,(H2,10,13)(H,11,12)/t5-,6?/m0/s1
InChIKeyZVVKOOLGFKCNQJ-ZBHICJROSA-N
MW197.19 g/mol
LogP-0.50
Rot. Bonds3

About [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate

[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate (PubChem CID 175304766) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate.

Molecular Properties

Compound Name[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
PubChem CID175304766
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate
SMILESN#CC(C[C@@H]1CCNC1=O)OC(N)=O
InChIInChI=1S/C8H11N3O3/c9-4-6(14-8(10)13)3-5-1-2-11-7(5)12/h5-6H,1-3H2,(H2,10,13)(H,11,12)/t5-,6?/m0/s1
InChIKeyZVVKOOLGFKCNQJ-ZBHICJROSA-N
XLogP-0.50
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
[1-oxo-1-(oxolan-2-yl)-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl] carbamate
CID 175424255
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanenitrile;methanesulfonic acid
CID 163323580
[3-oxo-1-(2-oxopyrrolidin-3-yl)-4-(1,1,3,3-tetrafluoropropan-2-yloxy)butan-2-yl] carbamate
CID 175537602
N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-2-formamidoacetamide
CID 167482163
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
(2S)-N-[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]-3,3-dimethyl-2-(methylamino)butanamide
CID 166975891
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
[(2S)-4-[methyl(phenyl)phosphoryl]oxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] carbamate
CID 175537617
2-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-1-oxo-3,5,6,7,8,8a-hexahydro-2H-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 162479515
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104

Frequently Asked Questions

What is the IUPAC name of [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate?
The IUPAC name of [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate (CID 175304766) is [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate.
What is the SMILES notation for [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate?
The canonical SMILES for [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate is N#CC(C[C@@H]1CCNC1=O)OC(N)=O.
What is the InChIKey of [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate?
The InChIKey is ZVVKOOLGFKCNQJ-ZBHICJROSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-4-6(14-8(10)13)3-5-1-2-11-7(5)12/h5-6H,1-3H2,(H2,10,13)(H,11,12)/t5-,6?/m0/s1.
What are the key properties of [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate?
[1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate has a molecular weight of 197.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl] carbamate is sourced from PubChem (CID 175304766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).