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

C15H28N2O4 — CID 79377748

IUPAC2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-4-17(10-15(2,3)21)14(20)16-12(13(18)19)11-8-6-5-7-9-11/h11-12,21H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJLSCVLVVCNSKTQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.82
Rot. Bonds6

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

2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid (PubChem CID 79377748) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
PubChem CID79377748
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(C)(C)O)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C15H28N2O4/c1-4-17(10-15(2,3)21)14(20)16-12(13(18)19)11-8-6-5-7-9-11/h11-12,21H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyJLSCVLVVCNSKTQ-UHFFFAOYSA-N
XLogP1.82
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-[[ethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61197769
2-cyclohexyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61447344
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 62709513
2-[(2-amino-2-methylbutanoyl)amino]-2-cyclohexylacetic acid
CID 79805005
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-acetamido-2-cyclopentyl-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543047
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid (CID 79377748) is 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid is CCN(CC(C)(C)O)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid?
The InChIKey is JLSCVLVVCNSKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-17(10-15(2,3)21)14(20)16-12(13(18)19)11-8-6-5-7-9-11/h11-12,21H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid?
2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid has a molecular weight of 300.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79377748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).