2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid

C14H26N2O3 — CID 55123701

IUPAC2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)NCCC1CCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,12(17)18)16(3)13(19)15-10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXGFJHYLBJOFHNO-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid

2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 55123701) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID55123701
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)NCCC1CCCCC1)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,12(17)18)16(3)13(19)15-10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyXGFJHYLBJOFHNO-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 62820411
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
3-[2-(2-cyclohexylethylamino)ethyl]-1,1-dimethylurea
CID 83116550
2-[cyclooctanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 65019470
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
3-(2-cyclohexylethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65265907
2-methyl-2-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297567
3-(2-cyclohexylethyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108888590
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
4-(2-cyclohexylethylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991351
2-[2-cyclohexylethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263691

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid (CID 55123701) is 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)NCCC1CCCCC1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is XGFJHYLBJOFHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,12(17)18)16(3)13(19)15-10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexylethylcarbamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).