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

C9H14O4 — CID 66633265

IUPAC1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)CCCCC1(C(=O)O)CC1
InChIInChI=1S/C9H14O4/c10-7(11)3-1-2-4-9(5-6-9)8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyJQQGMVRYBFSYBR-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.50
Rot. Bonds6

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

1-(4-carboxybutyl)cyclopropane-1-carboxylic acid (PubChem CID 66633265) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
PubChem CID66633265
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name1-(4-carboxybutyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)CCCCC1(C(=O)O)CC1
InChIInChI=1S/C9H14O4/c10-7(11)3-1-2-4-9(5-6-9)8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyJQQGMVRYBFSYBR-UHFFFAOYSA-N
XLogP1.50
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.50
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

1-(4-carboxybutyl)cyclobutane-1-carboxylic acid
CID 54177362
1-(9-carboxynonyl)cycloundecane-1-carboxylic acid
CID 66641441
1-(3-carboxypropyl)cyclodecane-1-carboxylic acid
CID 66632824
4-(3-carboxypropyl)oxane-4-carboxylic acid
CID 70529226
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-nonylcyclopropane-1-carboxylic acid
CID 54124337
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[12-(1-aminocyclopropyl)dodecyl]cyclopropane-1-carboxylic acid
CID 66828639
1-(2-carboxyethyl)cyclodecane-1-carboxylic acid
CID 66633361
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
5-(1-hydroxycyclobutyl)pentanoic acid
CID 115071625
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid (CID 66633265) is 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid is O=C(O)CCCCC1(C(=O)O)CC1.
What is the InChIKey of 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid?
The InChIKey is JQQGMVRYBFSYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c10-7(11)3-1-2-4-9(5-6-9)8(12)13/h1-6H2,(H,10,11)(H,12,13).
What are the key properties of 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid?
1-(4-carboxybutyl)cyclopropane-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxybutyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66633265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).