2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid

C11H19N3O6 — CID 107438458

IUPAC2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid
SMILESCOC(=O)CCCN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H19N3O6/c1-13(5-3-4-10(18)20-2)11(19)14(6-8(12)15)7-9(16)17/h3-7H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyJARWWQGRPWTPIF-UHFFFAOYSA-N
MW289.29 g/mol
LogP-1.14
Rot. Bonds8

About 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid (PubChem CID 107438458) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid
PubChem CID107438458
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid
SMILESCOC(=O)CCCN(C)C(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C11H19N3O6/c1-13(5-3-4-10(18)20-2)11(19)14(6-8(12)15)7-9(16)17/h3-7H2,1-2H3,(H2,12,15)(H,16,17)
InChIKeyJARWWQGRPWTPIF-UHFFFAOYSA-N
XLogP-1.14
TPSA130.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(Dimethylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61198002
4-[Acetyl(carboxymethyl)amino]-4-aminobutanoic acid
CID 89710281
2-(Butanoylamino)-2-[[2-oxo-2-(propylamino)ethyl]amino]acetic acid
CID 123867674
4-[[(2-Methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid
CID 43151917
4-[(2-Amino-2-oxoethyl)carbamoyl-methylamino]butanoic acid
CID 43151944
4-[[[(2-Methoxy-2-oxoethyl)amino]carbonyl]methylamino]butanoic acid
CID 43151950
4-[Methyl-[[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 43310695
4-[[2-(Dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid
CID 43311112
4-[[(2-Amino-2-oxoethyl)-methylcarbamoyl]-methylamino]butanoic acid
CID 43374338
4-[Methyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 43374342
4-[[[2-(Dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid
CID 43375399
2-[[2-[(4-Ethoxy-4-oxobutyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 43442490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid (CID 107438458) is 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid is COC(=O)CCCN(C)C(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid?
The InChIKey is JARWWQGRPWTPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-13(5-3-4-10(18)20-2)11(19)14(6-8(12)15)7-9(16)17/h3-7H2,1-2H3,(H2,12,15)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid has a molecular weight of 289.29 g/mol, XLogP of -1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 107438458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).