(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid

C8H10N2O3 — CID 83617800

IUPAC(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cc[nH]c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-5(8(12)13)10-7(11)6-2-3-9-4-6/h2-5,9H,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyUSAPRKULOUOVNO-YFKPBYRVSA-N
MW182.18 g/mol
LogP0.22
Rot. Bonds3

About (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid

(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid (PubChem CID 83617800) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
PubChem CID83617800
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid
SMILESC[C@H](NC(=O)c1cc[nH]c1)C(=O)O
InChIInChI=1S/C8H10N2O3/c1-5(8(12)13)10-7(11)6-2-3-9-4-6/h2-5,9H,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyUSAPRKULOUOVNO-YFKPBYRVSA-N
XLogP0.22
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
N-(1-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141279449
(2S)-2-[[3-[[(1S)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571628
2-[(4-propan-2-ylbenzoyl)amino]propanoic acid
CID 16769025
(2S)-4-amino-4-oxo-2-(1H-pyrrole-3-carbonylamino)butanoic acid
CID 110834824
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110691119
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
(2S)-2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 103790965
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
The IUPAC name of (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid (CID 83617800) is (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid is C[C@H](NC(=O)c1cc[nH]c1)C(=O)O.
What is the InChIKey of (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
The InChIKey is USAPRKULOUOVNO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(8(12)13)10-7(11)6-2-3-9-4-6/h2-5,9H,1H3,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid?
(2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrrole-3-carbonylamino)propanoic acid is sourced from PubChem (CID 83617800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).