4-methyl-2-pyrrol-1-ylpentanoic acid

C10H15NO2 — CID 15629023

IUPAC4-methyl-2-pyrrol-1-ylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cccc1
InChIInChI=1S/C10H15NO2/c1-8(2)7-9(10(12)13)11-5-3-4-6-11/h3-6,8-9H,7H2,1-2H3,(H,12,13)
InChIKeyCCIUIWFXXDCCOJ-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.16
Rot. Bonds4

About 4-methyl-2-pyrrol-1-ylpentanoic acid

4-methyl-2-pyrrol-1-ylpentanoic acid (PubChem CID 15629023) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methyl-2-pyrrol-1-ylpentanoic acid.

Molecular Properties

Compound Name4-methyl-2-pyrrol-1-ylpentanoic acid
PubChem CID15629023
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-methyl-2-pyrrol-1-ylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1cccc1
InChIInChI=1S/C10H15NO2/c1-8(2)7-9(10(12)13)11-5-3-4-6-11/h3-6,8-9H,7H2,1-2H3,(H,12,13)
InChIKeyCCIUIWFXXDCCOJ-UHFFFAOYSA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrrol-1-ylacetic acid
CID 242027
2-(1H-pyrrol-1-yl)propanoic acid
CID 4442771
3-Methyl-3-(1H-pyrrol-1-yl)butanoic acid
CID 2761125
L-alpha-Amino-1H-pyrrole-1-hexanoic acid
CID 15800938
4-(1H-pyrrol-1-yl)butanoic acid
CID 10419380
3-(1H-pyrrol-1-yl)butanoic acid
CID 12828793
1-(1H-pyrrol-1-yl)cyclopentane-1-carboxylic acid
CID 61291603
2-(1H-pyrrol-1-yl)cyclohexane-1-carboxylic acid
CID 64818223
1-(1H-pyrrol-1-yl)cyclopropane-1-carboxylic acid
CID 65452699
3-Pyrrol-1-ylpentanedioic acid
CID 274453
(2s)-2-Amino-6-(1h-pyrrol-1-yl)hexanoic acid
CID 54015164
2-(1H-pyrrol-1-yl)cyclopentane-1-carboxylic acid
CID 64818030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrol-1-ylpentanoic acid?
The IUPAC name of 4-methyl-2-pyrrol-1-ylpentanoic acid (CID 15629023) is 4-methyl-2-pyrrol-1-ylpentanoic acid.
What is the SMILES notation for 4-methyl-2-pyrrol-1-ylpentanoic acid?
The canonical SMILES for 4-methyl-2-pyrrol-1-ylpentanoic acid is CC(C)CC(C(=O)O)n1cccc1.
What is the InChIKey of 4-methyl-2-pyrrol-1-ylpentanoic acid?
The InChIKey is CCIUIWFXXDCCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(2)7-9(10(12)13)11-5-3-4-6-11/h3-6,8-9H,7H2,1-2H3,(H,12,13).
What are the key properties of 4-methyl-2-pyrrol-1-ylpentanoic acid?
4-methyl-2-pyrrol-1-ylpentanoic acid has a molecular weight of 181.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrol-1-ylpentanoic acid is sourced from PubChem (CID 15629023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).