5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid

C14H25NO3 — CID 157201488

IUPAC5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid
SMILESCCCCNC(=O)C(CCC(=O)O)C1CCCC1
InChIInChI=1S/C14H25NO3/c1-2-3-10-15-14(18)12(8-9-13(16)17)11-6-4-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyAQVQSJKMQQZMQP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds8

About 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid

5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid (PubChem CID 157201488) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid
PubChem CID157201488
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid
SMILESCCCCNC(=O)C(CCC(=O)O)C1CCCC1
InChIInChI=1S/C14H25NO3/c1-2-3-10-15-14(18)12(8-9-13(16)17)11-6-4-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17)
InChIKeyAQVQSJKMQQZMQP-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid?
The IUPAC name of 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid (CID 157201488) is 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid?
The canonical SMILES for 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid is CCCCNC(=O)C(CCC(=O)O)C1CCCC1.
What is the InChIKey of 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid?
The InChIKey is AQVQSJKMQQZMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-3-10-15-14(18)12(8-9-13(16)17)11-6-4-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid?
5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-4-cyclopentyl-5-oxopentanoic acid is sourced from PubChem (CID 157201488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).