[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid

C11H18N2O3 — CID 138598293

IUPAC[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1N1CCCC1=O
InChIInChI=1S/C11H18N2O3/c14-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9-/m1/s1
InChIKeyMZCMRRFDQFNEGQ-RKDXNWHRSA-N
MW226.28 g/mol
LogP1.19
Rot. Bonds2

About [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid

[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid (PubChem CID 138598293) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid
PubChem CID138598293
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1N1CCCC1=O
InChIInChI=1S/C11H18N2O3/c14-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9-/m1/s1
InChIKeyMZCMRRFDQFNEGQ-RKDXNWHRSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S,4S)-4-(2-oxopyrrolidin-1-yl)pyrrolidin-3-yl]carbamic acid
CID 68839779
2-(2-oxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 64818226
2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
CID 130486929
1-cyclodecylpyrrolidin-2-one
CID 138507623
(9R,9aS)-9-hydroxy-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 102280583
(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate
CID 167430486
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
CID 130490582
(9R,9aR)-9-(hydroxymethyl)-1,2,5,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepin-3-one
CID 130756851
1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one
CID 21204377
2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
CID 82399008
ethyl 2-(2-oxopyrrolidin-1-yl)cyclopropane-1-carboxylate
CID 85299400

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid?
The IUPAC name of [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid (CID 138598293) is [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid is O=C(O)N[C@@H]1CCCC[C@H]1N1CCCC1=O.
What is the InChIKey of [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid?
The InChIKey is MZCMRRFDQFNEGQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11(15)16/h8-9,12H,1-7H2,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid?
[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid has a molecular weight of 226.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid is sourced from PubChem (CID 138598293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).