2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid

C13H23N3O4 — CID 65263713

IUPAC2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NCC(=O)NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-13(2,11(18)19)14-8-10(17)16-12(20)15-9-6-4-3-5-7-9/h9,14H,3-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyGAYCRDGRQNJUQV-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.60
Rot. Bonds5

About 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 65263713) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID65263713
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCC(C)(NCC(=O)NC(=O)NC1CCCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-13(2,11(18)19)14-8-10(17)16-12(20)15-9-6-4-3-5-7-9/h9,14H,3-8H2,1-2H3,(H,18,19)(H2,15,16,17,20)
InChIKeyGAYCRDGRQNJUQV-UHFFFAOYSA-N
XLogP0.60
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cycloheptylcarbamoylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65300229
2-(cycloheptylcarbamoylamino)-2-methylpropanoic acid
CID 61266736
3-[[2-(cycloheptylamino)-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
CID 65265403
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
(2S)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83192651
(2R)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83194615
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
1-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]cyclobutane-1-carboxylic acid
CID 81157459
6-(cyclohexylcarbamoylamino)-6-oxohexanoic acid
CID 43447271
(2R)-2-amino-3-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-3-methylbutanoic acid
CID 106442698
N-cyclopentyl-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetamide
CID 43389811

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 65263713) is 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid is CC(C)(NCC(=O)NC(=O)NC1CCCCC1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is GAYCRDGRQNJUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,11(18)19)14-8-10(17)16-12(20)15-9-6-4-3-5-7-9/h9,14H,3-8H2,1-2H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexylcarbamoylamino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65263713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).