5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid

C14H25NO4 — CID 119235360

IUPAC5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
SMILESCC1CCCCC1OCC(=O)NCCCCC(=O)O
InChIInChI=1S/C14H25NO4/c1-11-6-2-3-7-12(11)19-10-13(16)15-9-5-4-8-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyIMNCVIBBPUASFQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds8

About 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid

5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid (PubChem CID 119235360) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
PubChem CID119235360
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
SMILESCC1CCCCC1OCC(=O)NCCCCC(=O)O
InChIInChI=1S/C14H25NO4/c1-11-6-2-3-7-12(11)19-10-13(16)15-9-5-4-8-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyIMNCVIBBPUASFQ-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.95
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

5-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pentanoic acid
CID 97234393
(3R)-3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]butanoic acid
CID 98851450
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
2-[1-[[2-(2-methylcyclohexyl)oxyacetyl]amino]cyclobutyl]acetic acid
CID 119218188
[(1S,2R)-2-methylcyclohexyl] N-[6-[[(1S,2S)-2-methylcyclohexyl]oxycarbonylamino]hexyl]carbamate
CID 124922659
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
CID 119212218

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid (CID 119235360) is 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid is CC1CCCCC1OCC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
The InChIKey is IMNCVIBBPUASFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11-6-2-3-7-12(11)19-10-13(16)15-9-5-4-8-14(17)18/h11-12H,2-10H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid is sourced from PubChem (CID 119235360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).