(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C9H19ClN2O2 — CID 130719317

IUPAC(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)[C@H]1C[C@H](O)CN1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-3-6(2)11-9(13)8-4-7(12)5-10-8;/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1H/t6?,7-,8+;/m0./s1
InChIKeyAMDSJWZYKFNWOW-UJXVHCJJSA-N
MW222.72 g/mol
LogP0.05
Rot. Bonds3

About (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 130719317) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID130719317
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCCC(C)NC(=O)[C@H]1C[C@H](O)CN1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-3-6(2)11-9(13)8-4-7(12)5-10-8;/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1H/t6?,7-,8+;/m0./s1
InChIKeyAMDSJWZYKFNWOW-UJXVHCJJSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-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

4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
4-hydroxy-N-pent-1-yn-3-ylpyrrolidine-2-carboxamide
CID 106230325
4-hydroxy-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 61254438
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-(2-hydroxy-3-methylpentyl)pyrrolidine-2-carboxamide
CID 119784032
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
4-hydroxy-N-(1-phenylmethoxypropan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119804053
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 54958945
4-hydroxy-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 65048907
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119748183

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 130719317) is (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is CCC(C)NC(=O)[C@H]1C[C@H](O)CN1.Cl.
What is the InChIKey of (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AMDSJWZYKFNWOW-UJXVHCJJSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-3-6(2)11-9(13)8-4-7(12)5-10-8;/h6-8,10,12H,3-5H2,1-2H3,(H,11,13);1H/t6?,7-,8+;/m0./s1.
What are the key properties of (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 130719317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).