(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide

C12H16N2O2 — CID 15482052

IUPAC(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C12H16N2O2/c15-10-6-11(13-8-10)12(16)14-7-9-4-2-1-3-5-9/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11+/m1/s1
InChIKeyDDUJJUNVYRBWIG-MNOVXSKESA-N
MW220.27 g/mol
LogP0.03
Rot. Bonds3

About (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 15482052) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID15482052
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C12H16N2O2/c15-10-6-11(13-8-10)12(16)14-7-9-4-2-1-3-5-9/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11+/m1/s1
InChIKeyDDUJJUNVYRBWIG-MNOVXSKESA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
4-hydroxy-N-[(2-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 114332340
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
(2R,4S)-4-hydroxy-N-[[4-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125138978
methyl 4-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]benzoate
CID 61274532
4-hydroxy-N-[(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119716379
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
5-(benzylcarbamoyl)pyrrolidine-3-sulfinic acid
CID 170243895
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
4-hydroxy-N-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 119770161
(2R,4R)-4-hydroxy-N-[[4-(2-methoxyphenoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 124685831
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide (CID 15482052) is (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DDUJJUNVYRBWIG-MNOVXSKESA-N. The full InChI is InChI=1S/C12H16N2O2/c15-10-6-11(13-8-10)12(16)14-7-9-4-2-1-3-5-9/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 15482052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).