(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide

C11H20N2O — CID 141395914

IUPAC(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1NCC[C@H]1C1CCCCC1
InChIInChI=1S/C11H20N2O/c12-11(14)10-9(6-7-13-10)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H2,12,14)/t9-,10-/m0/s1
InChIKeyKRJIPENBDDWBBI-UWVGGRQHSA-N
MW196.29 g/mol
LogP1.03
Rot. Bonds2

About (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide

(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide (PubChem CID 141395914) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
PubChem CID141395914
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1NCC[C@H]1C1CCCCC1
InChIInChI=1S/C11H20N2O/c12-11(14)10-9(6-7-13-10)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H2,12,14)/t9-,10-/m0/s1
InChIKeyKRJIPENBDDWBBI-UWVGGRQHSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cycloheptylpyrrolidine-2-carboxylic acid
CID 79337893
2-methylpropyl (2S,3R)-3-cyclohexylpyrrolidine-2-carboxylate
CID 154544211
3-cyclohexylpiperidine-4-carboxamide
CID 174458601
4-cycloheptylpyrrolidine-3-carboxamide
CID 114487061
(2S)-3-(4-oxocyclohexyl)pyrrolidine-2-carboxylic acid
CID 130409934
N-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
CID 91507842
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
(2S,3S)-3-methoxypyrrolidine-2-carboxamide
CID 58204442
(1R,2R,7R)-bicyclo[5.2.0]nonane-2-carboxamide
CID 125180717
(2S)-3-cyclohexyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 130409697
4-[[(2S,3S)-3-cyclohexylpyrrolidine-2-carbonyl]amino]-2-fluorobenzoic acid
CID 118101089
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
CID 174429341

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide (CID 141395914) is (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide is NC(=O)[C@H]1NCC[C@H]1C1CCCCC1.
What is the InChIKey of (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide?
The InChIKey is KRJIPENBDDWBBI-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O/c12-11(14)10-9(6-7-13-10)8-4-2-1-3-5-8/h8-10,13H,1-7H2,(H2,12,14)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide?
(2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-cyclohexylpyrrolidine-2-carboxamide is sourced from PubChem (CID 141395914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).