2-cyclopropylpropanoic acid

C6H10O2 — CID 21256867

IUPAC2-cyclopropylpropanoic acid
SMILESCC(C(=O)O)C1CC1
InChIInChI=1S/C6H10O2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyAMOJMSPUYHSMKI-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.12
Rot. Bonds2

About 2-cyclopropylpropanoic acid

2-cyclopropylpropanoic acid (PubChem CID 21256867) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropylpropanoic acid
PubChem CID21256867
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-cyclopropylpropanoic acid
SMILESCC(C(=O)O)C1CC1
InChIInChI=1S/C6H10O2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H,7,8)
InChIKeyAMOJMSPUYHSMKI-UHFFFAOYSA-N
XLogP1.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isocaproic acid
CID 12587
2-Methylvaleric acid
CID 7341
3-Methylpentanoic acid
CID 7755
2-Ethylpentanoic acid
CID 30020
3,4-Dimethylpentanoic acid
CID 226113
(S)-3-methyl-pentanoic acid
CID 642230
2-Methylcyclopropanecarboxylic acid
CID 99873
2,2-Dimethylcyclopropane-1-carboxylic acid
CID 260708
rel-(1R,2R)-2-Methylcyclopropanecarboxylic acid
CID 6995705
Cyclopropaneacetic acid
CID 138440
2,3,4-Trimethylpentanoic acid
CID 176505
(+)-2-Methylpentanoic acid
CID 642231

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpropanoic acid?
The IUPAC name of 2-cyclopropylpropanoic acid (CID 21256867) is 2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-cyclopropylpropanoic acid?
The canonical SMILES for 2-cyclopropylpropanoic acid is CC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropylpropanoic acid?
The InChIKey is AMOJMSPUYHSMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-4(6(7)8)5-2-3-5/h4-5H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-cyclopropylpropanoic acid?
2-cyclopropylpropanoic acid has a molecular weight of 114.14 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpropanoic acid is sourced from PubChem (CID 21256867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).