6-(1-cyclohexylethylamino)-6-oxohexanoic acid

C14H25NO3 — CID 62405389

IUPAC6-(1-cyclohexylethylamino)-6-oxohexanoic acid
SMILESCC(NC(=O)CCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(12-7-3-2-4-8-12)15-13(16)9-5-6-10-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyYHAIIEFSLRTCCC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.72
Rot. Bonds7

About 6-(1-cyclohexylethylamino)-6-oxohexanoic acid

6-(1-cyclohexylethylamino)-6-oxohexanoic acid (PubChem CID 62405389) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(1-cyclohexylethylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(1-cyclohexylethylamino)-6-oxohexanoic acid
PubChem CID62405389
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name6-(1-cyclohexylethylamino)-6-oxohexanoic acid
SMILESCC(NC(=O)CCCCC(=O)O)C1CCCCC1
InChIInChI=1S/C14H25NO3/c1-11(12-7-3-2-4-8-12)15-13(16)9-5-6-10-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyYHAIIEFSLRTCCC-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

Computed Properties (RDKit)

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

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Related Compounds

6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
N,N'-bis[(1S)-1-cyclohexylethyl]pentadecanediamide
CID 102132492
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
5-chloro-N-[(1S)-1-cyclopentylethyl]pentanamide
CID 81393682
N-[(1R)-1-cycloheptylethyl]-4-(methylamino)butanamide
CID 81392455
5-amino-N-[(1R)-1-cyclohexylethyl]hexanamide
CID 82852365
3-chloro-N-[(1S)-1-cycloheptylethyl]propanamide
CID 81391715

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylethylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(1-cyclohexylethylamino)-6-oxohexanoic acid (CID 62405389) is 6-(1-cyclohexylethylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(1-cyclohexylethylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(1-cyclohexylethylamino)-6-oxohexanoic acid is CC(NC(=O)CCCCC(=O)O)C1CCCCC1.
What is the InChIKey of 6-(1-cyclohexylethylamino)-6-oxohexanoic acid?
The InChIKey is YHAIIEFSLRTCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(12-7-3-2-4-8-12)15-13(16)9-5-6-10-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-(1-cyclohexylethylamino)-6-oxohexanoic acid?
6-(1-cyclohexylethylamino)-6-oxohexanoic 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 6-(1-cyclohexylethylamino)-6-oxohexanoic acid is sourced from PubChem (CID 62405389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).