3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid

C15H27NO4 — CID 119212218

IUPAC3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)COC1CCCCC1C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-4-10(2)14(15(18)19)16-13(17)9-20-12-8-6-5-7-11(12)3/h10-12,14H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGJDPHQACLXIRBX-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.20
Rot. Bonds7

About 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid

3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid (PubChem CID 119212218) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
PubChem CID119212218
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid
SMILESCCC(C)C(NC(=O)COC1CCCCC1C)C(=O)O
InChIInChI=1S/C15H27NO4/c1-4-10(2)14(15(18)19)16-13(17)9-20-12-8-6-5-7-11(12)3/h10-12,14H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGJDPHQACLXIRBX-UHFFFAOYSA-N
XLogP2.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
(3R)-3-[[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]amino]butanoic acid
CID 98851450
(2S,3S)-3-methyl-2-[[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]amino]pentanoic acid
CID 122100182
(2S,3S)-2-[[2-(cyclopropylmethoxy)acetyl]amino]-3-methylpentanoic acid
CID 119194038
2-methyl-3-[[2-(2-methylcyclohexyl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 119219183
3-methyl-2-[(2-methylcyclopentanecarbonyl)amino]pentanoic acid
CID 107175072
N-[(2S)-4-(dimethylamino)-3,3-dimethylbutan-2-yl]-2-[(1R,2R)-2-methylcyclohexyl]oxyacetamide
CID 95971888
2-(cyclooctanecarbonylamino)-3-methylpentanoic acid
CID 65019151
2-(3-cyclobutylpropanoylamino)-3-methylpentanoic acid
CID 120520784
(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2S,3S)-2-(3-cyclopropylpropanoylamino)-3-methylpentanoic acid
CID 103790464
(2S,3S)-2-[[2-(cyclopropylamino)acetyl]amino]-3-methylpentanoic acid
CID 61172077

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid (CID 119212218) is 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid is CCC(C)C(NC(=O)COC1CCCCC1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
The InChIKey is GJDPHQACLXIRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-10(2)14(15(18)19)16-13(17)9-20-12-8-6-5-7-11(12)3/h10-12,14H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid?
3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(2-methylcyclohexyl)oxyacetyl]amino]pentanoic acid is sourced from PubChem (CID 119212218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).