2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid

C14H26N2O3 — CID 61195307

IUPAC2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(C)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-16(3)14(19)15-12(13(17)18)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVIVJGNHUPZBHFO-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid

2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid (PubChem CID 61195307) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
PubChem CID61195307
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCC(C)CN(C)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)9-16(3)14(19)15-12(13(17)18)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyVIVJGNHUPZBHFO-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-cyclopropyl-2-[[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]amino]acetic acid
CID 114950871
2-cyclohexyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 61197550
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
3-[di(cyclobutyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122014139
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
2-cyclopropyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]acetic acid
CID 55257507
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
2-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-cyclopropylacetic acid
CID 62710183
2-cyclohexyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61447344

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid (CID 61195307) is 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid is CC(C)CN(C)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is VIVJGNHUPZBHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)9-16(3)14(19)15-12(13(17)18)11-7-5-4-6-8-11/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid?
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61195307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).