4-cyclopropyl-4-hydroxypentanoic acid

C8H14O3 — CID 66324061

IUPAC4-cyclopropyl-4-hydroxypentanoic acid
SMILESCC(O)(CCC(=O)O)C1CC1
InChIInChI=1S/C8H14O3/c1-8(11,6-2-3-6)5-4-7(9)10/h6,11H,2-5H2,1H3,(H,9,10)
InChIKeyWOXOEOAGRUPLKC-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.01
Rot. Bonds4

About 4-cyclopropyl-4-hydroxypentanoic acid

4-cyclopropyl-4-hydroxypentanoic acid (PubChem CID 66324061) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-cyclopropyl-4-hydroxypentanoic acid.

Molecular Properties

Compound Name4-cyclopropyl-4-hydroxypentanoic acid
PubChem CID66324061
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-cyclopropyl-4-hydroxypentanoic acid
SMILESCC(O)(CCC(=O)O)C1CC1
InChIInChI=1S/C8H14O3/c1-8(11,6-2-3-6)5-4-7(9)10/h6,11H,2-5H2,1H3,(H,9,10)
InChIKeyWOXOEOAGRUPLKC-UHFFFAOYSA-N
XLogP1.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopropyl-4-hydroxyhexanoic acid
CID 66322973
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
2-cyclopropyl-4-methylsulfonylbutan-2-ol
CID 65146998
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
2-(4-methylcyclohexyl)pentan-2-ol
CID 80557496
2-cyclopropyl-5-ethylsulfonylpentan-2-ol
CID 65147052
4,5-dihydroxy-4-methylpentanoic acid
CID 55303456
4,4-dihydroxyheptanedioic acid
CID 87892288
3-[(2-cyclohexyl-2-hydroxypropyl)carbamoylamino]propanoic acid
CID 122018389
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
4-amino-4-methylpentanoic acid
CID 158438218
calcium;3-cyclopentylpropanoic acid;hydride
CID 173013179

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-hydroxypentanoic acid?
The IUPAC name of 4-cyclopropyl-4-hydroxypentanoic acid (CID 66324061) is 4-cyclopropyl-4-hydroxypentanoic acid.
What is the SMILES notation for 4-cyclopropyl-4-hydroxypentanoic acid?
The canonical SMILES for 4-cyclopropyl-4-hydroxypentanoic acid is CC(O)(CCC(=O)O)C1CC1.
What is the InChIKey of 4-cyclopropyl-4-hydroxypentanoic acid?
The InChIKey is WOXOEOAGRUPLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(11,6-2-3-6)5-4-7(9)10/h6,11H,2-5H2,1H3,(H,9,10).
What are the key properties of 4-cyclopropyl-4-hydroxypentanoic acid?
4-cyclopropyl-4-hydroxypentanoic acid has a molecular weight of 158.20 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-hydroxypentanoic acid is sourced from PubChem (CID 66324061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).