2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

C14H26N2O3 — CID 54900494

IUPAC2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-16(10-14(18)19)9-13(17)15(3)12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyARHILAZZXKSWHN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.43
Rot. Bonds6

About 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid

2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 54900494) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID54900494
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(C)C1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-16(10-14(18)19)9-13(17)15(3)12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyARHILAZZXKSWHN-UHFFFAOYSA-N
XLogP1.43
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid (CID 54900494) is 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is CCN(CC(=O)O)CC(=O)N(C)C1CCC(C)CC1.
What is the InChIKey of 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is ARHILAZZXKSWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-16(10-14(18)19)9-13(17)15(3)12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid?
2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 54900494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).