(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide

C13H24N2O3 — CID 125150294

IUPAC(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2)CCCC[C@H]1O
InChIInChI=1S/C13H24N2O3/c1-13(5-3-2-4-11(13)17)8-15-12(18)10-6-9(16)7-14-10/h9-11,14,16-17H,2-8H2,1H3,(H,15,18)/t9-,10+,11-,13-/m1/s1
InChIKeyCQZKWIRMHHBELQ-LSCVPOLPSA-N
MW256.35 g/mol
LogP-0.23
Rot. Bonds3

About (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 125150294) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
PubChem CID125150294
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2)CCCC[C@H]1O
InChIInChI=1S/C13H24N2O3/c1-13(5-3-2-4-11(13)17)8-15-12(18)10-6-9(16)7-14-10/h9-11,14,16-17H,2-8H2,1H3,(H,15,18)/t9-,10+,11-,13-/m1/s1
InChIKeyCQZKWIRMHHBELQ-LSCVPOLPSA-N
XLogP-0.23
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(4R)-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124596585
4-hydroxy-N-[(1-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 103812334
4-hydroxy-N-[(1-propylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 119821714
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119786154
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326
4-hydroxy-N-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 119821380
4-hydroxy-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 119819505
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 119747052
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
(2R,4R)-4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 74230276
(2S,4S)-4-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 125150968

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide (CID 125150294) is (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide is C[C@]1(CNC(=O)[C@@H]2C[C@@H](O)CN2)CCCC[C@H]1O.
What is the InChIKey of (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CQZKWIRMHHBELQ-LSCVPOLPSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(5-3-2-4-11(13)17)8-15-12(18)10-6-9(16)7-14-10/h9-11,14,16-17H,2-8H2,1H3,(H,15,18)/t9-,10+,11-,13-/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-[[(1R,2R)-2-hydroxy-1-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125150294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).