5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid

C14H25NO3 — CID 2938780

IUPAC5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
SMILESCCCC(CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-6-11(14(17)18)9-10-13(16)15-12-7-4-3-5-8-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyDECNCJAZQXURMI-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid

5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid (PubChem CID 2938780) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
PubChem CID2938780
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid
SMILESCCCC(CCC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-2-6-11(14(17)18)9-10-13(16)15-12-7-4-3-5-8-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyDECNCJAZQXURMI-UHFFFAOYSA-N
XLogP2.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

2-(Cyclohexylformamido)-3-methylbutanoic acid
CID 2958090
2-(4-(Cyclohexylamino)-4-oxobutan-2-yl)heptanoic acid
CID 657819
2-((1-(((1R,2S)-2-propylcyclohexyl)carbamoyl)cyclopentyl)methyl)pentanoic acid
CID 11537626
(2S,4R)-2-amino-4-(3-(ethylamino)-3-oxopropyl)pentanedioic acid
CID 44568312
4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
2-[4-(Cyclohexylamino)-4-oxobutan-2-yl]-5-methylhexanoic acid
CID 2959256
N-Cyclohexanoylleucine
CID 129440
(4-Methylcyclohexane-1-carbonyl)-L-leucine
CID 7023893
(Cyclohexanecarbonyl)-L-leucine
CID 9992929
(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoic acid
CID 10539933
(2R)-2-(cyclohexanecarbonylamino)-4-methylpentanoic acid
CID 40603969
1-[2-(Cyclohexylamino)-2-oxoethyl]cyclopentaneacetic acid
CID 4387865

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
The IUPAC name of 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid (CID 2938780) is 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid.
What is the SMILES notation for 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
The canonical SMILES for 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid is CCCC(CCC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
The InChIKey is DECNCJAZQXURMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-6-11(14(17)18)9-10-13(16)15-12-7-4-3-5-8-12/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid?
5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-5-oxo-2-propylpentanoic acid is sourced from PubChem (CID 2938780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).