2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid

C10H10Cl2N2O5 — CID 54926923

IUPAC2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)O
InChIInChI=1S/C10H10Cl2N2O5/c11-4-3-6(13-8(4)12)9(17)14-5(10(18)19)1-2-7(15)16/h3,5,13H,1-2H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyQEUKFELDPKXQDN-UHFFFAOYSA-N
MW309.11 g/mol
LogP1.37
Rot. Bonds6

About 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid

2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid (PubChem CID 54926923) has the molecular formula C10H10Cl2N2O5 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid
PubChem CID54926923
Molecular FormulaC10H10Cl2N2O5
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Name2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)O
InChIInChI=1S/C10H10Cl2N2O5/c11-4-3-6(13-8(4)12)9(17)14-5(10(18)19)1-2-7(15)16/h3,5,13H,1-2H2,(H,14,17)(H,15,16)(H,18,19)
InChIKeyQEUKFELDPKXQDN-UHFFFAOYSA-N
XLogP1.37
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 28740856
(2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 29033778
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
2-(1H-pyrrole-2-carbonylamino)pentanedioic acid
CID 60832834
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60831652
2-[(5-chloro-2-hydroxybenzoyl)amino]pentanedioic acid
CID 60832659
2-[(3-chloro-4-iodobenzoyl)amino]pentanedioic acid
CID 103218940
4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 81063917
(2S)-2-[(3-chlorobenzoyl)amino]pentanedioic acid
CID 61152009
(2R)-2-[[3-[[(1R)-1,3-dicarboxypropyl]carbamoyl]benzoyl]amino]pentanedioic acid
CID 99966260
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
(2S)-2-[(2,4,6-trifluorobenzoyl)amino]pentanedioic acid
CID 65101239

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid (CID 54926923) is 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid is O=C(O)CCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)C(=O)O.
What is the InChIKey of 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid?
The InChIKey is QEUKFELDPKXQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O5/c11-4-3-6(13-8(4)12)9(17)14-5(10(18)19)1-2-7(15)16/h3,5,13H,1-2H2,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid?
2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid has a molecular weight of 309.11 g/mol, XLogP of 1.37, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 54926923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).