2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid

C14H25NO4 — CID 120546535

IUPAC2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCCC(C)OCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-10(2)19-9-12(16)15-14(3)8-6-5-7-11(14)13(17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySEPHFENKXLHHSM-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.95
Rot. Bonds6

About 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid

2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 120546535) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID120546535
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCCC(C)OCC(=O)NC1(C)CCCCC1C(=O)O
InChIInChI=1S/C14H25NO4/c1-4-10(2)19-9-12(16)15-14(3)8-6-5-7-11(14)13(17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeySEPHFENKXLHHSM-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-(butanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 120545841
2-[[2-(2-ethylphenoxy)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546195
2-methyl-2-[(2-propan-2-ylsulfonylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546085
1-[(2-butan-2-yloxyacetyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 120530092
2-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
CID 120546470
2-methyl-2-[(2-phenylacetyl)amino]cyclohexane-1-carboxylic acid
CID 120546506
2-methyl-2-[[2-(4-methylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120546221
4-[(2-butan-2-yloxyacetyl)amino]thiane-4-carboxylic acid
CID 120531310
2-methyl-2-[2-(4-methylphenoxy)propanoylamino]cyclohexane-1-carboxylic acid
CID 120545463
trans-(1R,2R)-2-methyl-2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 129467699
2-[(3-acetamido-3-phenylpropanoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 120546015
2-[2-(4-bromophenyl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120545978

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 120546535) is 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid is CCC(C)OCC(=O)NC1(C)CCCCC1C(=O)O.
What is the InChIKey of 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is SEPHFENKXLHHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-10(2)19-9-12(16)15-14(3)8-6-5-7-11(14)13(17)18/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid?
2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yloxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120546535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).