(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 90063250

IUPAC(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1(O)CCCC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C12H22N2O2/c1-12(16)6-2-4-9(8-12)14-11(15)10-5-3-7-13-10/h9-10,13,16H,2-8H2,1H3,(H,14,15)/t9?,10-,12?/m0/s1
InChIKeyLKTSBUKZFABQQX-YZRBJQDESA-N
MW226.32 g/mol
LogP0.55
Rot. Bonds2

About (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide

(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 90063250) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
PubChem CID90063250
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
SMILESCC1(O)CCCC(NC(=O)[C@@H]2CCCN2)C1
InChIInChI=1S/C12H22N2O2/c1-12(16)6-2-4-9(8-12)14-11(15)10-5-3-7-13-10/h9-10,13,16H,2-8H2,1H3,(H,14,15)/t9?,10-,12?/m0/s1
InChIKeyLKTSBUKZFABQQX-YZRBJQDESA-N
XLogP0.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]acetamide
CID 162469361
N-(3-hydroxy-3-methylcyclohexyl)acetamide
CID 139373491
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
N-cyclopentylazepane-2-carboxamide
CID 64564743
(2S)-N-(2-ethyl-2-methylcyclopropyl)pyrrolidine-2-carboxamide
CID 131000663
(2S)-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 89303395
N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
CID 139383920
N-(4-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 18072889
1-(3-hydroxy-3-methylcyclohexyl)-3-methylurea
CID 139383918
(2S)-N-(2,2-dimethylcyclopropyl)piperidine-2-carboxamide
CID 104913794
(2R)-N-(2,2-diethyloxan-4-yl)pyrrolidine-2-carboxamide
CID 104901402

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide (CID 90063250) is (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide is CC1(O)CCCC(NC(=O)[C@@H]2CCCN2)C1.
What is the InChIKey of (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is LKTSBUKZFABQQX-YZRBJQDESA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(16)6-2-4-9(8-12)14-11(15)10-5-3-7-13-10/h9-10,13,16H,2-8H2,1H3,(H,14,15)/t9?,10-,12?/m0/s1.
What are the key properties of (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 90063250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).