(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid

C14H14N2O3 — CID 54991443

IUPAC(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-10(14(18)19)15-13(17)11-5-4-6-12(9-11)16-7-2-3-8-16/h2-10H,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyWWHLCEXHNPETLE-SNVBAGLBSA-N
MW258.28 g/mol
LogP1.68
Rot. Bonds4

About (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid

(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid (PubChem CID 54991443) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid
PubChem CID54991443
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-10(14(18)19)15-13(17)11-5-4-6-12(9-11)16-7-2-3-8-16/h2-10H,1H3,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyWWHLCEXHNPETLE-SNVBAGLBSA-N
XLogP1.68
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 79009327
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]pentanoic acid
CID 119212163
(2S)-4-hydroxy-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 107822185
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
(2S)-4-methyl-2-[[2-[(3-pyrrol-1-ylbenzoyl)amino]acetyl]amino]pentanoic acid
CID 120694912
2-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 18918591
(2S)-2-[[3-[[3-[[(1S)-1-carboxyethyl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoic acid
CID 102421825
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
CID 97020373
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid (CID 54991443) is (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid is C[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid?
The InChIKey is WWHLCEXHNPETLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10(14(18)19)15-13(17)11-5-4-6-12(9-11)16-7-2-3-8-16/h2-10H,1H3,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid?
(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 54991443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).