(2R)-2-benzamidopyrrolidine-2-carboxylic acid

C12H14N2O3 — CID 70468963

IUPAC(2R)-2-benzamidopyrrolidine-2-carboxylic acid
SMILESO=C(N[C@@]1(C(=O)O)CCCN1)c1ccccc1
InChIInChI=1S/C12H14N2O3/c15-10(9-5-2-1-3-6-9)14-12(11(16)17)7-4-8-13-12/h1-3,5-6,13H,4,7-8H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeyHNLYSDLJKJRJLN-GFCCVEGCSA-N
MW234.25 g/mol
LogP0.58
Rot. Bonds3

About (2R)-2-benzamidopyrrolidine-2-carboxylic acid

(2R)-2-benzamidopyrrolidine-2-carboxylic acid (PubChem CID 70468963) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R)-2-benzamidopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-benzamidopyrrolidine-2-carboxylic acid
PubChem CID70468963
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2R)-2-benzamidopyrrolidine-2-carboxylic acid
SMILESO=C(N[C@@]1(C(=O)O)CCCN1)c1ccccc1
InChIInChI=1S/C12H14N2O3/c15-10(9-5-2-1-3-6-9)14-12(11(16)17)7-4-8-13-12/h1-3,5-6,13H,4,7-8H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeyHNLYSDLJKJRJLN-GFCCVEGCSA-N
XLogP0.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,6-dimethylanilino)pyrrolidine-2-carboxylic acid
CID 70567893
(2S)-N-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 141351303
2-benzoylpyrrolidine-2-carboxylic acid
CID 70416090
2-benzamidooxane-2-carboxylic acid
CID 141498515
(2-benzylpyrrolidin-2-yl)-phenylmethanone
CID 594890
(2-ethylpyrrolidin-2-yl)-phenylmethanone
CID 116608161
2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
CID 115103424
2-(phenylsulfanylmethyl)pyrrolidine-2-carboxylic acid
CID 141198596
(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride
CID 2761924
N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide
CID 18463125
1,9-diazaspiro[4.6]undecan-9-yl(phenyl)methanone
CID 138702406
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamidopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-benzamidopyrrolidine-2-carboxylic acid (CID 70468963) is (2R)-2-benzamidopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-benzamidopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-benzamidopyrrolidine-2-carboxylic acid is O=C(N[C@@]1(C(=O)O)CCCN1)c1ccccc1.
What is the InChIKey of (2R)-2-benzamidopyrrolidine-2-carboxylic acid?
The InChIKey is HNLYSDLJKJRJLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-10(9-5-2-1-3-6-9)14-12(11(16)17)7-4-8-13-12/h1-3,5-6,13H,4,7-8H2,(H,14,15)(H,16,17)/t12-/m1/s1.
What are the key properties of (2R)-2-benzamidopyrrolidine-2-carboxylic acid?
(2R)-2-benzamidopyrrolidine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamidopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70468963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).