2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid

C14H14ClNO3 — CID 155135193

IUPAC2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3/c1-8-7-12(13(17)14(18)19)9(2)16(8)11-5-3-10(15)4-6-11/h3-7,13,17H,1-2H3,(H,18,19)
InChIKeyBIADBTTUAQNULF-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid

2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid (PubChem CID 155135193) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid
PubChem CID155135193
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid
SMILESCc1cc(C(O)C(=O)O)c(C)n1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO3/c1-8-7-12(13(17)14(18)19)9(2)16(8)11-5-3-10(15)4-6-11/h3-7,13,17H,1-2H3,(H,18,19)
InChIKeyBIADBTTUAQNULF-UHFFFAOYSA-N
XLogP2.87
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Analyze 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic 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-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-methylpropanoic acid
CID 3042746
(E)-3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
CID 2106610
2-amino-1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 152935672
1-(4-chlorophenyl)-2,5-dimethyl-N-[2-(methylamino)propyl]pyrrole-3-carboxamide
CID 120826815
N-[(2S)-1-aminopropan-2-yl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 120505660
4-[3-(1,2-diaminoethyl)-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 170894499
ethyl 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoacetate
CID 70984214
3-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-3-oxopropanenitrile
CID 2478622
N,1-bis(4-chlorophenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
CID 3062172
bis((2R)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid);bis((2S)-2-(4-chloro-2-fluorophenyl)-2-hydroxyacetic acid)
CID 139124387
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
(4R)-4-amino-4-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]butanoic acid
CID 165344001

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid (CID 155135193) is 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid is Cc1cc(C(O)C(=O)O)c(C)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid?
The InChIKey is BIADBTTUAQNULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-8-7-12(13(17)14(18)19)9(2)16(8)11-5-3-10(15)4-6-11/h3-7,13,17H,1-2H3,(H,18,19).
What are the key properties of 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid?
2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid has a molecular weight of 279.72 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 155135193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).