2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid

C15H16N2O3 — CID 28790887

IUPAC2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)n1C
InChIInChI=1S/C15H16N2O3/c1-10-3-8-13(17(10)2)15(20)16-12-6-4-11(5-7-12)9-14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDHXLSBIAEHDLDY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.21
Rot. Bonds4

About 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 28790887) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
PubChem CID28790887
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid
SMILESCc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)n1C
InChIInChI=1S/C15H16N2O3/c1-10-3-8-13(17(10)2)15(20)16-12-6-4-11(5-7-12)9-14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDHXLSBIAEHDLDY-UHFFFAOYSA-N
XLogP2.21
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-fluorobenzoic acid
CID 60750145
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
2-[4-[(2-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]acetic acid
CID 113424571
N-(5-formyl-1-methylpyrrol-3-yl)-1,5-dimethylpyrrole-2-carboxamide
CID 143099078
4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 43665791
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
2-[4-[(5-phenylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 59654726
2-[4-[(2,3-difluorobenzoyl)amino]phenyl]acetic acid
CID 62648476
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid (CID 28790887) is 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid is Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)n1C.
What is the InChIKey of 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is DHXLSBIAEHDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-3-8-13(17(10)2)15(20)16-12-6-4-11(5-7-12)9-14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,5-dimethylpyrrole-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 28790887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).