4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid

C12H18N2O3 — CID 119188489

IUPAC4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
SMILESCc1c[nH]cc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-7(2)4-10(12(16)17)14-11(15)9-6-13-5-8(9)3/h5-7,10,13H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyJZSOIXDEJYMEFL-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.55
Rot. Bonds5

About 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid

4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid (PubChem CID 119188489) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
PubChem CID119188489
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
SMILESCc1c[nH]cc1C(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H18N2O3/c1-7(2)4-10(12(16)17)14-11(15)9-6-13-5-8(9)3/h5-7,10,13H,4H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyJZSOIXDEJYMEFL-UHFFFAOYSA-N
XLogP1.55
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid (CID 119188489) is 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid is Cc1c[nH]cc1C(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
The InChIKey is JZSOIXDEJYMEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)4-10(12(16)17)14-11(15)9-6-13-5-8(9)3/h5-7,10,13H,4H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-methyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119188489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).