(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 78920023

IUPAC(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H18N2O4/c1-10(16-13(18)11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,16,18)(H,20,21)/t10?,12-/m1/s1
InChIKeyDZJNDYNCTYXQPH-TVKKRMFBSA-N
MW290.32 g/mol
LogP0.88
Rot. Bonds4

About (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78920023) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID78920023
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H18N2O4/c1-10(16-13(18)11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,16,18)(H,20,21)/t10?,12-/m1/s1
InChIKeyDZJNDYNCTYXQPH-TVKKRMFBSA-N
XLogP0.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-benzamidopropanoyl]pyrrolidine-2-carboxamide
CID 169260137
(2S)-1-[(2S)-2-benzamido-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 126678475
(2S)-1-(2-benzamido-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 135315648
(2S)-1-[(2S)-2-benzamidopropanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54309979
1-[2-[[(2R)-2-benzamido-3-benzoylsulfanylpropanoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 88695614
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 22665693
N-[1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66260521
1-(2-anilinopropanoyl)pyrrolidine-2-carboxylic acid
CID 18623712
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
(2S)-1-[(2S)-2-(3-phenylpropanoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 54268836
(2R)-1-[(2R)-2-(phenylmethoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 86308236
(2R)-1-[2-(thiophene-2-carbonylamino)propanoyl]piperidine-2-carboxylic acid
CID 79035200

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid (CID 78920023) is (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid is CC(NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DZJNDYNCTYXQPH-TVKKRMFBSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(16-13(18)11-6-3-2-4-7-11)14(19)17-9-5-8-12(17)15(20)21/h2-4,6-7,10,12H,5,8-9H2,1H3,(H,16,18)(H,20,21)/t10?,12-/m1/s1.
What are the key properties of (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-benzamidopropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78920023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).