2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid

C14H26N2O4 — CID 79272097

IUPAC2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C14H26N2O4/c1-11-4-6-12(7-5-11)15(2)14(19)16(8-9-20-3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyLJLURXDMAXQCTQ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid

2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid (PubChem CID 79272097) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
PubChem CID79272097
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C14H26N2O4/c1-11-4-6-12(7-5-11)15(2)14(19)16(8-9-20-3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyLJLURXDMAXQCTQ-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid (CID 79272097) is 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
The InChIKey is LJLURXDMAXQCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11-4-6-12(7-5-11)15(2)14(19)16(8-9-20-3)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 79272097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).