2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid

C16H16N2O3 — CID 62535726

IUPAC2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C16H16N2O3/c19-15(20)10-11-4-1-2-5-13(11)17-16(21)14-6-3-9-18(14)12-7-8-12/h1-6,9,12H,7-8,10H2,(H,17,21)(H,19,20)
InChIKeySXCMADJXSBHQJJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.70
Rot. Bonds5

About 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid

2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 62535726) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
PubChem CID62535726
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccn1C1CC1
InChIInChI=1S/C16H16N2O3/c19-15(20)10-11-4-1-2-5-13(11)17-16(21)14-6-3-9-18(14)12-7-8-12/h1-6,9,12H,7-8,10H2,(H,17,21)(H,19,20)
InChIKeySXCMADJXSBHQJJ-UHFFFAOYSA-N
XLogP2.70
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610369
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
N-(2-aminophenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114610041
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methylbenzoic acid
CID 43639295
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-5-methylbenzoic acid
CID 43639305
4-[(1-cyclopropylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639269
N-(4-bromo-2-ethylphenyl)-1-cyclobutylpyrrole-2-carboxamide
CID 114609306
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
5-[(1-cyclopropylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43639320
N-(6-chloro-2-methyl-3-pyridinyl)-1-cyclopropylpyrrole-2-carboxamide
CID 107301072
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid (CID 62535726) is 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccn1C1CC1.
What is the InChIKey of 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is SXCMADJXSBHQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-15(20)10-11-4-1-2-5-13(11)17-16(21)14-6-3-9-18(14)12-7-8-12/h1-6,9,12H,7-8,10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid?
2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 284.31 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-cyclopropylpyrrole-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62535726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).