2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid

C10H13NO2 — CID 82468283

IUPAC2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid
SMILESCn1ccc(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C10H13NO2/c1-11-5-4-8(6-11)9(10(12)13)7-2-3-7/h4-7,9H,2-3H2,1H3,(H,12,13)
InChIKeyVIVGEDIDIYOIHI-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.60
Rot. Bonds3

About 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid

2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid (PubChem CID 82468283) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid
PubChem CID82468283
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid
SMILESCn1ccc(C(C(=O)O)C2CC2)c1
InChIInChI=1S/C10H13NO2/c1-11-5-4-8(6-11)9(10(12)13)7-2-3-7/h4-7,9H,2-3H2,1H3,(H,12,13)
InChIKeyVIVGEDIDIYOIHI-UHFFFAOYSA-N
XLogP1.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-pyrrol-3-yl)acetic acid
CID 410424
2-(Pyridin-3-yl)butanoic acid
CID 17909908
2-(1-methyl-1H-pyrrol-3-yl)acetic acid
CID 26722643
2-(1-methyl-1H-pyrrol-3-yl)propanoic acid
CID 82280163
2-(Pyridin-4-yl)butanoic acid
CID 22621922
trans-(1R,3R)-3-(2,2-difluoroethenyl)-2,2-dimethyl-1-[(1-prop-2-ynylpyrrol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 22841208
cis-(1R,3S)-3-(2,2-difluoroethenyl)-2,2-dimethyl-1-[(1-prop-2-ynylpyrrol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 22841210
trans-(1R,3R)-3-(4-ethoxy-2-fluoro-4-oxobut-1-enyl)-2,2-dimethyl-1-[(1-prop-2-ynylpyrrol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 54235044
Ethyl (1-methyl-1H-pyrrol-3-yl)acetate
CID 12330495
Ethyl 2-(1-benzylpyrrol-3-yl)acetate
CID 49788390
2-(1-Benzylpyrrol-3-yl)acetic acid
CID 129990417
2-[1-(2-Fluoroethyl)pyrrol-3-yl]acetic acid
CID 84654008

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid (CID 82468283) is 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid is Cn1ccc(C(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid?
The InChIKey is VIVGEDIDIYOIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-11-5-4-8(6-11)9(10(12)13)7-2-3-7/h4-7,9H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid?
2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid has a molecular weight of 179.22 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1-methylpyrrol-3-yl)acetic acid is sourced from PubChem (CID 82468283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).