(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

C12H15ClN2O2 — CID 28944036

IUPAC(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C12H15ClN2O2/c13-10-4-2-1-3-8(10)6-15-12(17)11-5-9(16)7-14-11/h1-4,9,11,14,16H,5-7H2,(H,15,17)/t9-,11-/m0/s1
InChIKeyCYOMELBLAYXDLS-ONGXEEELSA-N
MW254.72 g/mol
LogP0.68
Rot. Bonds3

About (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 28944036) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID28944036
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C12H15ClN2O2/c13-10-4-2-1-3-8(10)6-15-12(17)11-5-9(16)7-14-11/h1-4,9,11,14,16H,5-7H2,(H,15,17)/t9-,11-/m0/s1
InChIKeyCYOMELBLAYXDLS-ONGXEEELSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
4-amino-N-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 123698157
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
N-[[2-(4-chlorophenyl)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119768236
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
(2S,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587806
(2R,4R)-N-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587807
(2R,4R)-N-[(2R)-2-(2-chlorophenoxy)propyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125134999
(3R)-N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28514089
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 28944036) is (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is CYOMELBLAYXDLS-ONGXEEELSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-10-4-2-1-3-8(10)6-15-12(17)11-5-9(16)7-14-11/h1-4,9,11,14,16H,5-7H2,(H,15,17)/t9-,11-/m0/s1.
What are the key properties of (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 28944036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).