2-methyl-3-(1H-pyrrol-3-yl)propanoic acid

C8H11NO2 — CID 82595111

IUPAC2-methyl-3-(1H-pyrrol-3-yl)propanoic acid
SMILESCC(Cc1cc[nH]c1)C(=O)O
InChIInChI=1S/C8H11NO2/c1-6(8(10)11)4-7-2-3-9-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)
InChIKeyXXNPSKBXGGTDGQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.28
Rot. Bonds3

About 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid

2-methyl-3-(1H-pyrrol-3-yl)propanoic acid (PubChem CID 82595111) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1H-pyrrol-3-yl)propanoic acid
PubChem CID82595111
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-methyl-3-(1H-pyrrol-3-yl)propanoic acid
SMILESCC(Cc1cc[nH]c1)C(=O)O
InChIInChI=1S/C8H11NO2/c1-6(8(10)11)4-7-2-3-9-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11)
InChIKeyXXNPSKBXGGTDGQ-UHFFFAOYSA-N
XLogP1.28
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(1H-Pyrrol-3-yl)-propionic acid
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3-(4-methyl-1H-pyrrol-3-yl)propanoic acid
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2-amino-3-(1H-pyrrol-3-yl)propanoic acid
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[1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
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Pyrrole-3,4-diacetic acid
CID 14358081
[(E)-1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 135445568
3-(2,4-dimethyl-1H-pyrrol-3-yl)propanoic Acid
CID 1512519
(R)-2-Amino-3-(1H-pyrrol-3-yl)propanoic acid
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2-(1-methyl-1H-pyrrol-3-yl)propanoicacid
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid (CID 82595111) is 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid is CC(Cc1cc[nH]c1)C(=O)O.
What is the InChIKey of 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid?
The InChIKey is XXNPSKBXGGTDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6(8(10)11)4-7-2-3-9-5-7/h2-3,5-6,9H,4H2,1H3,(H,10,11).
What are the key properties of 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid?
2-methyl-3-(1H-pyrrol-3-yl)propanoic acid has a molecular weight of 153.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 82595111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).