(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride

C9H19ClN2O2 — CID 130719913

IUPAC(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC(CO)NC(=O)[C@@H]1CNC[C@H]1C.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-6-3-10-4-8(6)9(13)11-7(2)5-12;/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1H/t6-,7?,8-;/m1./s1
InChIKeyXFRMXPILBLZDPK-MZLLXOAPSA-N
MW222.72 g/mol
LogP-0.24
Rot. Bonds3

About (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride

(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130719913) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID130719913
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCC(CO)NC(=O)[C@@H]1CNC[C@H]1C.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-6-3-10-4-8(6)9(13)11-7(2)5-12;/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1H/t6-,7?,8-;/m1./s1
InChIKeyXFRMXPILBLZDPK-MZLLXOAPSA-N
XLogP-0.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
N-[4-(dimethylamino)butan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714179
4-methyl-N-octan-2-ylpyrrolidine-3-carboxamide
CID 63714459
N-(4-ethylsulfanylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747672
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
N-(3-ethylpentan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63843859
N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63714601
N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715088

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride (CID 130719913) is (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride is CC(CO)NC(=O)[C@@H]1CNC[C@H]1C.Cl.
What is the InChIKey of (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XFRMXPILBLZDPK-MZLLXOAPSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-6-3-10-4-8(6)9(13)11-7(2)5-12;/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1H/t6-,7?,8-;/m1./s1.
What are the key properties of (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride?
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130719913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).