2-(1H-pyrrole-3-carbonylamino)acetic acid

C7H8N2O3 — CID 82468022

IUPAC2-(1H-pyrrole-3-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1cc[nH]c1
InChIInChI=1S/C7H8N2O3/c10-6(11)4-9-7(12)5-1-2-8-3-5/h1-3,8H,4H2,(H,9,12)(H,10,11)
InChIKeyDIZLJGMQBYBRGZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.17
Rot. Bonds3

About 2-(1H-pyrrole-3-carbonylamino)acetic acid

2-(1H-pyrrole-3-carbonylamino)acetic acid (PubChem CID 82468022) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-(1H-pyrrole-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrrole-3-carbonylamino)acetic acid
PubChem CID82468022
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-(1H-pyrrole-3-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1cc[nH]c1
InChIInChI=1S/C7H8N2O3/c10-6(11)4-9-7(12)5-1-2-8-3-5/h1-3,8H,4H2,(H,9,12)(H,10,11)
InChIKeyDIZLJGMQBYBRGZ-UHFFFAOYSA-N
XLogP-0.17
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrole-3-carboxamide
CID 19067979
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
5-fluoro-1H-pyrrole-3-carboxamide
CID 67965401
N-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 68517955
4-fluoro-4-[(1H-pyrrole-3-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 91345504
1H-Pyrrole-3-carbonyl fluoride
CID 119092408
N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide
CID 127008680
N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)-1H-pyrrole-3-carboxamide
CID 141125893
N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1H-pyrrole-3-carboxamide
CID 141125916
N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 154662954
N-[(3S)-piperidin-3-yl]-1H-pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 159580766
[(E)-2-[(3-carbamoylpyrrol-1-yl)methyl]-3-fluoroprop-2-enyl]carbamic acid
CID 166783820

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrole-3-carbonylamino)acetic acid?
The IUPAC name of 2-(1H-pyrrole-3-carbonylamino)acetic acid (CID 82468022) is 2-(1H-pyrrole-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1H-pyrrole-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(1H-pyrrole-3-carbonylamino)acetic acid is O=C(O)CNC(=O)c1cc[nH]c1.
What is the InChIKey of 2-(1H-pyrrole-3-carbonylamino)acetic acid?
The InChIKey is DIZLJGMQBYBRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-6(11)4-9-7(12)5-1-2-8-3-5/h1-3,8H,4H2,(H,9,12)(H,10,11).
What are the key properties of 2-(1H-pyrrole-3-carbonylamino)acetic acid?
2-(1H-pyrrole-3-carbonylamino)acetic acid has a molecular weight of 168.15 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrole-3-carbonylamino)acetic acid is sourced from PubChem (CID 82468022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).