5-(1-hydroxycyclobutyl)pentanoic acid

C9H16O3 — CID 115071625

IUPAC5-(1-hydroxycyclobutyl)pentanoic acid
SMILESO=C(O)CCCCC1(O)CCC1
InChIInChI=1S/C9H16O3/c10-8(11)4-1-2-5-9(12)6-3-7-9/h12H,1-7H2,(H,10,11)
InChIKeyMEAYXIRWQNECJD-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.55
Rot. Bonds5

About 5-(1-hydroxycyclobutyl)pentanoic acid

5-(1-hydroxycyclobutyl)pentanoic acid (PubChem CID 115071625) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-(1-hydroxycyclobutyl)pentanoic acid.

Molecular Properties

Compound Name5-(1-hydroxycyclobutyl)pentanoic acid
PubChem CID115071625
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-(1-hydroxycyclobutyl)pentanoic acid
SMILESO=C(O)CCCCC1(O)CCC1
InChIInChI=1S/C9H16O3/c10-8(11)4-1-2-5-9(12)6-3-7-9/h12H,1-7H2,(H,10,11)
InChIKeyMEAYXIRWQNECJD-UHFFFAOYSA-N
XLogP1.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-hydroxycyclobutyl)propanoic acid
CID 66323196
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
CID 66633265
4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
16-(1-chlorocyclohexyl)hexadecanoic acid
CID 174354712
5-(1-hydroxycyclopentyl)pentanal
CID 170984660
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
CID 916078
aluminum tris(4-(1-hydroxycyclohexyl)butanoate)
CID 70392954
cyclohexane-1,1-dicarboxylic acid;hexanedioic acid
CID 161480417
hexanedioic acid;tris([1-(hydroxymethyl)cyclodecyl]methanol)
CID 175890022

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxycyclobutyl)pentanoic acid?
The IUPAC name of 5-(1-hydroxycyclobutyl)pentanoic acid (CID 115071625) is 5-(1-hydroxycyclobutyl)pentanoic acid.
What is the SMILES notation for 5-(1-hydroxycyclobutyl)pentanoic acid?
The canonical SMILES for 5-(1-hydroxycyclobutyl)pentanoic acid is O=C(O)CCCCC1(O)CCC1.
What is the InChIKey of 5-(1-hydroxycyclobutyl)pentanoic acid?
The InChIKey is MEAYXIRWQNECJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-8(11)4-1-2-5-9(12)6-3-7-9/h12H,1-7H2,(H,10,11).
What are the key properties of 5-(1-hydroxycyclobutyl)pentanoic acid?
5-(1-hydroxycyclobutyl)pentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxycyclobutyl)pentanoic acid is sourced from PubChem (CID 115071625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).