2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid

C11H16N2O3 — CID 43618481

IUPAC2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc[nH]1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-6-11(2,10(15)16)13-9(14)8-5-4-7-12-8/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWCUUXEMVOLYANO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.39
Rot. Bonds5

About 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid

2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid (PubChem CID 43618481) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
PubChem CID43618481
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid
SMILESCCCC(C)(NC(=O)c1ccc[nH]1)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-3-6-11(2,10(15)16)13-9(14)8-5-4-7-12-8/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWCUUXEMVOLYANO-UHFFFAOYSA-N
XLogP1.39
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-1H-pyrrole-2-carboxamide
CID 75498993
2-[(3,5-dihydroxybenzoyl)amino]-2-methylpentanoic acid
CID 107702413
2-[(4-fluoro-3-methylbenzoyl)amino]-2-methylpentanoic acid
CID 55163046
2-methyl-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 113227894
2-anilino-2-methylpentanoic acid
CID 60992039
N-(2-amino-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 81483032
2-[(2-fluoropyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 114037475
2-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749694
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-2-methylpentanoic acid
CID 43619096
2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545
2-[(3-ethoxybenzoyl)amino]-2-methylpentanoic acid
CID 119192325
2-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 115298445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid (CID 43618481) is 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid is CCCC(C)(NC(=O)c1ccc[nH]1)C(=O)O.
What is the InChIKey of 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid?
The InChIKey is WCUUXEMVOLYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-6-11(2,10(15)16)13-9(14)8-5-4-7-12-8/h4-5,7,12H,3,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid?
2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1H-pyrrole-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 43618481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).