(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride

C16H19ClN2O2 — CID 170699848

IUPAC(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C16H18N2O2.ClH/c19-14-8-15(17-10-14)16(20)18-9-11-5-6-12-3-1-2-4-13(12)7-11;/h1-7,14-15,17,19H,8-10H2,(H,18,20);1H/t14-,15+;/m1./s1
InChIKeyVCLPJKOHWGLBRM-LIOBNPLQSA-N
MW306.79 g/mol
LogP1.60
Rot. Bonds3

About (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride

(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 170699848) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID170699848
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C16H18N2O2.ClH/c19-14-8-15(17-10-14)16(20)18-9-11-5-6-12-3-1-2-4-13(12)7-11;/h1-7,14-15,17,19H,8-10H2,(H,18,20);1H/t14-,15+;/m1./s1
InChIKeyVCLPJKOHWGLBRM-LIOBNPLQSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
4-hydroxy-N-[(6-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119872262
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
(2S,4S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150529

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 170699848) is (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccc2ccccc2c1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VCLPJKOHWGLBRM-LIOBNPLQSA-N. The full InChI is InChI=1S/C16H18N2O2.ClH/c19-14-8-15(17-10-14)16(20)18-9-11-5-6-12-3-1-2-4-13(12)7-11;/h1-7,14-15,17,19H,8-10H2,(H,18,20);1H/t14-,15+;/m1./s1.
What are the key properties of (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 306.79 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 170699848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).