2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid

C11H17NO2 — CID 83484624

IUPAC2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid
SMILESCC(C)Cc1ccc(CC(=O)O)n1C
InChIInChI=1S/C11H17NO2/c1-8(2)6-9-4-5-10(12(9)3)7-11(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyXCTXHCPWPQXPDR-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.85
Rot. Bonds4

About 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid

2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid (PubChem CID 83484624) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid
PubChem CID83484624
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid
SMILESCC(C)Cc1ccc(CC(=O)O)n1C
InChIInChI=1S/C11H17NO2/c1-8(2)6-9-4-5-10(12(9)3)7-11(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyXCTXHCPWPQXPDR-UHFFFAOYSA-N
XLogP1.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,5-dimethylpyrrol-2-yl)acetic acid
CID 23460407
N-[[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]methyl]propan-2-amine
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2-[5-(4-bromobenzoyl)-1-methylpyrrol-2-yl]acetic acid
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2-[5-[4-(4-methoxyphenyl)benzoyl]-1-methylpyrrol-2-yl]acetic acid
CID 54131688
3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]butanoic acid
CID 119220881
2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
CID 84771354
2-[2-(2-hydroxypropyl)phenyl]acetic acid
CID 117111520
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-[2-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenyl]acetic acid
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2-[5-(2-methylpropyl)-1,2,4-triazin-3-yl]acetic acid
CID 105448907

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid?
The IUPAC name of 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid (CID 83484624) is 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid is CC(C)Cc1ccc(CC(=O)O)n1C.
What is the InChIKey of 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid?
The InChIKey is XCTXHCPWPQXPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)6-9-4-5-10(12(9)3)7-11(13)14/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid?
2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid has a molecular weight of 195.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-5-(2-methylpropyl)pyrrol-2-yl]acetic acid is sourced from PubChem (CID 83484624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).