2-(1H-pyrrole-2-carbonylamino)pentanedioic acid

C10H12N2O5 — CID 60832834

IUPAC2-(1H-pyrrole-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1ccc[nH]1)C(=O)O
InChIInChI=1S/C10H12N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h1-2,5,7,11H,3-4H2,(H,12,15)(H,13,14)(H,16,17)
InChIKeyQIOYPPJFWNBPJT-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.06
Rot. Bonds6

About 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid

2-(1H-pyrrole-2-carbonylamino)pentanedioic acid (PubChem CID 60832834) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid.

Molecular Properties

Compound Name2-(1H-pyrrole-2-carbonylamino)pentanedioic acid
PubChem CID60832834
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name2-(1H-pyrrole-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1ccc[nH]1)C(=O)O
InChIInChI=1S/C10H12N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h1-2,5,7,11H,3-4H2,(H,12,15)(H,13,14)(H,16,17)
InChIKeyQIOYPPJFWNBPJT-UHFFFAOYSA-N
XLogP0.06
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(4-hydroxyphenyl)-2-(1H-pyrrole-2-carbonylamino)propanoic acid
CID 28741270
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
2-[(2-iodobenzoyl)amino]pentanedioic acid
CID 3028418
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
(2S)-2-[(2-fluoro-6-hydroxybenzoyl)amino]pentanedioic acid
CID 107013469
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid
CID 54926923
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
CID 63184689
3-hydroxy-2-(1H-pyrrole-2-carbonylamino)butanoic acid
CID 43208803
(2R)-5-methoxy-5-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 107820528
2-(1H-pyrrole-2-carbonylamino)oxyacetic acid
CID 63931399
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid?
The IUPAC name of 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid (CID 60832834) is 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid.
What is the SMILES notation for 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid?
The canonical SMILES for 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid is O=C(O)CCC(NC(=O)c1ccc[nH]1)C(=O)O.
What is the InChIKey of 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid?
The InChIKey is QIOYPPJFWNBPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c13-8(14)4-3-7(10(16)17)12-9(15)6-2-1-5-11-6/h1-2,5,7,11H,3-4H2,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid?
2-(1H-pyrrole-2-carbonylamino)pentanedioic acid has a molecular weight of 240.21 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrole-2-carbonylamino)pentanedioic acid is sourced from PubChem (CID 60832834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).