(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide

C12H20N2O2 — CID 139534066

IUPAC(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCC2CCCCC2)N1
InChIInChI=1S/C12H20N2O2/c15-11-7-6-10(14-11)12(16)13-8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyLNAANPQWSBPUFK-JTQLQIEISA-N
MW224.30 g/mol
LogP0.96
Rot. Bonds3

About (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 139534066) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID139534066
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCC2CCCCC2)N1
InChIInChI=1S/C12H20N2O2/c15-11-7-6-10(14-11)12(16)13-8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
InChIKeyLNAANPQWSBPUFK-JTQLQIEISA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Melanostatin
CID 92910
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-propylpentanamide
CID 11107895
5-Oxo-L-prolyl-3-cyclohexyl-L-alanyl-L-prolinamide
CID 13312519
(2R)-N-cyclohexyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60053628
Dibutyl ethylhexanoyl glutamide
CID 11417726
Proline scaffold, 34
CID 42618131
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxopyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44306586
(2S)-2-[[(2S)-2-[(3R)-3-(3-cyclohexylpropylamino)-2-oxo-3-propylpyrrolidin-1-yl]pentanoyl]amino]-4-methylpentanamide
CID 44307165
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
H-Pro-Leu-Gly-NHMe
CID 90675104
N-[1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 3896043

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 139534066) is (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCC2CCCCC2)N1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is LNAANPQWSBPUFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-7-6-10(14-11)12(16)13-8-9-4-2-1-3-5-9/h9-10H,1-8H2,(H,13,16)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 139534066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).