(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride

C9H19ClN2O — CID 130617096

IUPAC(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-3-7(2)11-9(12)8-4-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t7?,8-;/m0./s1
InChIKeyBSVPNWWRNLSPEV-MTICXXPYSA-N
MW206.72 g/mol
LogP0.93
Rot. Bonds3

About (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride

(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130617096) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130617096
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-3-7(2)11-9(12)8-4-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t7?,8-;/m0./s1
InChIKeyBSVPNWWRNLSPEV-MTICXXPYSA-N
XLogP0.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
N-(4-ethylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 115734464
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138
(3S)-N-heptan-2-ylpiperidine-3-carboxamide
CID 81123711
(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide
CID 124727558

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride (CID 130617096) is (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride is CCC(C)NC(=O)[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is BSVPNWWRNLSPEV-MTICXXPYSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-3-7(2)11-9(12)8-4-5-10-6-8;/h7-8,10H,3-6H2,1-2H3,(H,11,12);1H/t7?,8-;/m0./s1.
What are the key properties of (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride?
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130617096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).