4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid

C13H26N2O4 — CID 54986328

IUPAC4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
SMILESCOCCN(CC(C)C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-11(2)10-15(8-9-19-4)13(18)14(3)7-5-6-12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyDSGGYGNSDWSXFD-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.51
Rot. Bonds9

About 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid

4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid (PubChem CID 54986328) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
PubChem CID54986328
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
SMILESCOCCN(CC(C)C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-11(2)10-15(8-9-19-4)13(18)14(3)7-5-6-12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyDSGGYGNSDWSXFD-UHFFFAOYSA-N
XLogP1.51
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic 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-cyanoethyl(2-methoxyethyl)carbamoyl]-methylamino]butanoic acid
CID 63286647
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid
CID 55005795
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid (CID 54986328) is 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid is COCCN(CC(C)C)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is DSGGYGNSDWSXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(2)10-15(8-9-19-4)13(18)14(3)7-5-6-12(16)17/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid?
4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 54986328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).