3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride

C16H25ClN2O2 — CID 154898487

IUPAC3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride
SMILESCC(C)N1C[C@H](NC(=O)CCO)[C@@H](c2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)18-10-14(13-6-4-3-5-7-13)15(11-18)17-16(20)8-9-19;/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,17,20);1H/t14-,15+;/m1./s1
InChIKeyQKWDMVBRCPJOSV-LIOBNPLQSA-N
MW312.84 g/mol
LogP1.78
Rot. Bonds5

About 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride

3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride (PubChem CID 154898487) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride
PubChem CID154898487
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride
SMILESCC(C)N1C[C@H](NC(=O)CCO)[C@@H](c2ccccc2)C1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)18-10-14(13-6-4-3-5-7-13)15(11-18)17-16(20)8-9-19;/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,17,20);1H/t14-,15+;/m1./s1
InChIKeyQKWDMVBRCPJOSV-LIOBNPLQSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-1-(3-hydroxypropyl)-4-phenylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 72839648
3-(benzenesulfonyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]propanamide
CID 118777842
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-2-chloropropanamide
CID 146098682
(2R)-2-[(3R,4S)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]propanoic acid
CID 20672324
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
CID 133266894
1,3-bis[(3R,4S)-1-benzyl-4-phenylpyrrolidin-3-yl]urea
CID 102127410
N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
CID 154898599
N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 124887001
3-phenyl-1-propan-2-ylazetidine
CID 23628
[(3S)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-yl]urea
CID 144628967
N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
CID 75509288
2-cyclobutyl-N-[(3S,4R)-1-[2-(methylamino)-2-oxoethyl]-4-phenylpyrrolidin-3-yl]acetamide
CID 133130441

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride?
The IUPAC name of 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride (CID 154898487) is 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride?
The canonical SMILES for 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride is CC(C)N1C[C@H](NC(=O)CCO)[C@@H](c2ccccc2)C1.Cl.
What is the InChIKey of 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride?
The InChIKey is QKWDMVBRCPJOSV-LIOBNPLQSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)18-10-14(13-6-4-3-5-7-13)15(11-18)17-16(20)8-9-19;/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,17,20);1H/t14-,15+;/m1./s1.
What are the key properties of 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride?
3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 154898487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).