2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid

C13H17ClN2O5 — CID 60832159

IUPAC2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
SMILESCCCn1cc(Cl)cc1C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C13H17ClN2O5/c1-2-5-16-7-8(14)6-10(16)12(19)15-9(13(20)21)3-4-11(17)18/h6-7,9H,2-5H2,1H3,(H,15,19)(H,17,18)(H,20,21)
InChIKeyLJSOWYIUKWWDQZ-UHFFFAOYSA-N
MW316.74 g/mol
LogP1.60
Rot. Bonds8

About 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid

2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid (PubChem CID 60832159) has the molecular formula C13H17ClN2O5 and a molecular weight of 316.74 g/mol. Its IUPAC name is 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
PubChem CID60832159
Molecular FormulaC13H17ClN2O5
Molecular Weight316.74 g/mol
Exact Mass316.08
IUPAC Name2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
SMILESCCCn1cc(Cl)cc1C(=O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C13H17ClN2O5/c1-2-5-16-7-8(14)6-10(16)12(19)15-9(13(20)21)3-4-11(17)18/h6-7,9H,2-5H2,1H3,(H,15,19)(H,17,18)(H,20,21)
InChIKeyLJSOWYIUKWWDQZ-UHFFFAOYSA-N
XLogP1.60
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-amino-2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 63715407
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60831652
N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
CID 104877038
(2R)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820741
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832158
2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 43639403
(2S)-2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820326
(2R)-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-methylpentanoic acid
CID 78975609
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
4-amino-2-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-4-oxobutanoic acid
CID 43639423
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-methylamino]propanoic acid
CID 60989894
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid (CID 60832159) is 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid is CCCn1cc(Cl)cc1C(=O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid?
The InChIKey is LJSOWYIUKWWDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O5/c1-2-5-16-7-8(14)6-10(16)12(19)15-9(13(20)21)3-4-11(17)18/h6-7,9H,2-5H2,1H3,(H,15,19)(H,17,18)(H,20,21).
What are the key properties of 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid?
2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid has a molecular weight of 316.74 g/mol, XLogP of 1.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 60832159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).