1-(4-carboxybutyl)cyclobutane-1-carboxylic acid

C10H16O4 — CID 54177362

IUPAC1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)CCCCC1(C(=O)O)CCC1
InChIInChI=1S/C10H16O4/c11-8(12)4-1-2-5-10(9(13)14)6-3-7-10/h1-7H2,(H,11,12)(H,13,14)
InChIKeyOZIMISVJMYPVRX-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.89
Rot. Bonds6

About 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid

1-(4-carboxybutyl)cyclobutane-1-carboxylic acid (PubChem CID 54177362) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
PubChem CID54177362
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)CCCCC1(C(=O)O)CCC1
InChIInChI=1S/C10H16O4/c11-8(12)4-1-2-5-10(9(13)14)6-3-7-10/h1-7H2,(H,11,12)(H,13,14)
InChIKeyOZIMISVJMYPVRX-UHFFFAOYSA-N
XLogP1.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.89
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

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CID 66641441
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
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1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
5-(1-hydroxycyclobutyl)pentanoic acid
CID 115071625
1-(3-bromopropyl)cyclobutane-1-carboxylic acid
CID 18406028
4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226
1-[11-(1-carboxycyclobutyl)undec-6-enyl]cyclobutane-1-carboxylic acid
CID 159161773
1-(10-carboxy-10-methyl-5-oxoundecyl)cyclobutane-1-carboxylic acid
CID 11645559
1-nonylcyclooctane-1-carboxylic acid
CID 80609308

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid (CID 54177362) is 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid is O=C(O)CCCCC1(C(=O)O)CCC1.
What is the InChIKey of 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid?
The InChIKey is OZIMISVJMYPVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-8(12)4-1-2-5-10(9(13)14)6-3-7-10/h1-7H2,(H,11,12)(H,13,14).
What are the key properties of 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid?
1-(4-carboxybutyl)cyclobutane-1-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxybutyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 54177362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).