2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid

C14H14N2O4 — CID 60832479

IUPAC2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
SMILESCn1cccc1C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4/c1-15-8-2-3-12(15)14(20)16(9-13(18)19)10-4-6-11(17)7-5-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyIWLNQNKLMBEEFN-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid

2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid (PubChem CID 60832479) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
PubChem CID60832479
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
SMILESCn1cccc1C(=O)N(CC(=O)O)c1ccc(O)cc1
InChIInChI=1S/C14H14N2O4/c1-15-8-2-3-12(15)14(20)16(9-13(18)19)10-4-6-11(17)7-5-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyIWLNQNKLMBEEFN-UHFFFAOYSA-N
XLogP1.46
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic 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

2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60826824
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-hydroxyanilino)acetic acid
CID 66126888
2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116535
2-[tert-butyl-(1-methylpyrrole-2-carbonyl)amino]acetic acid
CID 79265767
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(4-hydroxy-N-(3-hydroxybenzoyl)anilino)acetic acid
CID 60830444
2-(N-(1,5-dimethylpyrrole-2-carbonyl)-4-methylanilino)acetic acid
CID 60831784
2-[4-hydroxy-N-(pyridine-4-carbonyl)anilino]acetic acid
CID 60831290
2-(N-(2,5-dimethylpyrazole-3-carbonyl)-4-methylanilino)acetic acid
CID 66126674
N,N-diethyl-1-methylpyrrole-2-carboxamide
CID 60654004
2-[4-hydroxy-N-[(1-methylpyrazol-3-yl)carbamoyl]anilino]acetic acid
CID 61203767
N-(2-chloroacetyl)-N,1-dimethylpyrrole-2-carboxamide
CID 28893231

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid (CID 60832479) is 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid is Cn1cccc1C(=O)N(CC(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
The InChIKey is IWLNQNKLMBEEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-15-8-2-3-12(15)14(20)16(9-13(18)19)10-4-6-11(17)7-5-10/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid?
2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 60832479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).