3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid

C11H17NO3 — CID 103551169

IUPAC3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESC=CCCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO3/c1-2-3-6-12-10(13)8-4-5-9(7-8)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeyRCCKSZIWCXRXBU-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.18
Rot. Bonds5

About 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid

3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103551169) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103551169
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESC=CCCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H17NO3/c1-2-3-6-12-10(13)8-4-5-9(7-8)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15)
InChIKeyRCCKSZIWCXRXBU-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(but-3-enylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963932
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
2-(pent-4-enylcarbamoyl)cyclopropane-1-carboxylic acid
CID 165351929
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
3-(3-piperidin-1-ylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549965
cis-(1S,3R)-3-[2-(3-hydroxypropylsulfanyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106305169
3-(5-methoxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114129707
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551165

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103551169) is 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid is C=CCCNC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is RCCKSZIWCXRXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-6-12-10(13)8-4-5-9(7-8)11(14)15/h2,8-9H,1,3-7H2,(H,12,13)(H,14,15).
What are the key properties of 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).