5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid

C15H27NO4 — CID 62964201

IUPAC5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C15H27NO4/c1-12(11-15(18)19)10-14(17)16-8-5-9-20-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyPDJLYPLDVCTGJI-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.34
Rot. Bonds9

About 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid

5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62964201) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62964201
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C15H27NO4/c1-12(11-15(18)19)10-14(17)16-8-5-9-20-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKeyPDJLYPLDVCTGJI-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275790
3-amino-N-(2-cyclohexyloxyethyl)butanamide
CID 63828834
3-methyl-5-(7-methyloctylamino)-5-oxopentanoic acid
CID 62964548
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430333
5-(3-ethenoxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62964547
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
N-(3-cyclohexyloxypropyl)-2-(prop-2-ynylamino)acetamide
CID 79286966
N-(3-cyclohexyloxypropyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 60500381
3-methyl-5-oxo-5-(3-phenylmethoxypropylamino)pentanoic acid
CID 62965038
N-(3-cyclohexyloxypropyl)-2-[cyclopentyl(ethyl)amino]acetamide
CID 87017395

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid (CID 62964201) is 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NCCCOC1CCCCC1.
What is the InChIKey of 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is PDJLYPLDVCTGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(11-15(18)19)10-14(17)16-8-5-9-20-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid?
5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyloxypropylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).