5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid

C14H25NO3 — CID 58443489

IUPAC5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid
SMILESCC(C)C1(NC(=O)CCCC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(2)14(9-4-3-5-10-14)15-12(16)7-6-8-13(17)18/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQMXAUFMRVQIRLO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds6

About 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid

5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid (PubChem CID 58443489) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid
PubChem CID58443489
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid
SMILESCC(C)C1(NC(=O)CCCC(=O)O)CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(2)14(9-4-3-5-10-14)15-12(16)7-6-8-13(17)18/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQMXAUFMRVQIRLO-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid (CID 58443489) is 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid is CC(C)C1(NC(=O)CCCC(=O)O)CCCCC1.
What is the InChIKey of 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid?
The InChIKey is QMXAUFMRVQIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(2)14(9-4-3-5-10-14)15-12(16)7-6-8-13(17)18/h11H,3-10H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid?
5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(1-propan-2-ylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 58443489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).