2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid

C10H13NO2 — CID 83696021

IUPAC2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc[nH]2)CC1
InChIInChI=1S/C10H13NO2/c1-7(9(12)13)10(4-5-10)8-3-2-6-11-8/h2-3,6-7,11H,4-5H2,1H3,(H,12,13)
InChIKeyJQYGQXRPHDCOFY-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.77
Rot. Bonds3

About 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid

2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid (PubChem CID 83696021) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
PubChem CID83696021
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid
SMILESCC(C(=O)O)C1(c2ccc[nH]2)CC1
InChIInChI=1S/C10H13NO2/c1-7(9(12)13)10(4-5-10)8-3-2-6-11-8/h2-3,6-7,11H,4-5H2,1H3,(H,12,13)
InChIKeyJQYGQXRPHDCOFY-UHFFFAOYSA-N
XLogP1.77
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
CID 116872063
2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]butanoic acid
CID 116875211
2-(methylamino)-2-[3-(1H-pyrrol-2-yl)oxetan-3-yl]acetic acid
CID 116875677
3-amino-3-[3-(1H-pyrrol-2-yl)oxetan-3-yl]propanoic acid
CID 116874591
2-[1-(4-chlorophenyl)cyclopentyl]propanoic acid
CID 68974773
1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
CID 116844165
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973
1-(1H-pyrrol-2-yl)cyclopropane-1-carbonitrile
CID 83694235
1-(1H-pyrrol-2-yl)cyclohexan-1-ol
CID 91037758
2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317771
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
(2R)-2-methoxy-2-(1H-pyrrol-2-yl)acetic acid
CID 170443504

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid?
The IUPAC name of 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid (CID 83696021) is 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid.
What is the SMILES notation for 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid?
The canonical SMILES for 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid is CC(C(=O)O)C1(c2ccc[nH]2)CC1.
What is the InChIKey of 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid?
The InChIKey is JQYGQXRPHDCOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(9(12)13)10(4-5-10)8-3-2-6-11-8/h2-3,6-7,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid?
2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid has a molecular weight of 179.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-pyrrol-2-yl)cyclopropyl]propanoic acid is sourced from PubChem (CID 83696021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).