1-(2-carboxypropyl)cyclopropane-1-carboxylic acid

C8H12O4 — CID 59921337

IUPAC1-(2-carboxypropyl)cyclopropane-1-carboxylic acid
SMILESCC(CC1(C(=O)O)CC1)C(=O)O
InChIInChI=1S/C8H12O4/c1-5(6(9)10)4-8(2-3-8)7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeySISQTBCDTUXOED-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.96
Rot. Bonds4

About 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid

1-(2-carboxypropyl)cyclopropane-1-carboxylic acid (PubChem CID 59921337) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-carboxypropyl)cyclopropane-1-carboxylic acid
PubChem CID59921337
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name1-(2-carboxypropyl)cyclopropane-1-carboxylic acid
SMILESCC(CC1(C(=O)O)CC1)C(=O)O
InChIInChI=1S/C8H12O4/c1-5(6(9)10)4-8(2-3-8)7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeySISQTBCDTUXOED-UHFFFAOYSA-N
XLogP0.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
3-(2-hydroxypropyl)thiolane-3-carboxylic acid
CID 115018284
1-(2,2-difluoroethyl)cyclopentane-1-carboxylic acid
CID 79425246
3-[hydroxy(methyl)silyl]-2-methylpropanoic acid
CID 123282853
1-(2-hydroxybutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 79429049
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 63140661
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-(2,2-difluoroethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425430
1-(2-methylpropyl)cyclopropane-1-carbonyl chloride
CID 139221866
1-(2-ethylbutyl)-4-methylcyclohexane-1-carboxylic acid
CID 82935062

Frequently Asked Questions

What is the IUPAC name of 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid (CID 59921337) is 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid is CC(CC1(C(=O)O)CC1)C(=O)O.
What is the InChIKey of 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid?
The InChIKey is SISQTBCDTUXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-5(6(9)10)4-8(2-3-8)7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid?
1-(2-carboxypropyl)cyclopropane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carboxypropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59921337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).