2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid

C11H22N2O4 — CID 81058123

IUPAC2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
SMILESCCOCCN(C)C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-9(10(14)15)13(4)11(16)12(3)7-8-17-6-2/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyKVXPCGBBKLWVEN-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds7

About 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid

2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid (PubChem CID 81058123) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
PubChem CID81058123
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid
SMILESCCOCCN(C)C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-9(10(14)15)13(4)11(16)12(3)7-8-17-6-2/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyKVXPCGBBKLWVEN-UHFFFAOYSA-N
XLogP0.87
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-3,3-diethyl-1-methylurea
CID 115887200
2-[carboxymethyl-[2-ethoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 81057647
2-[methyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]butanoic acid
CID 79865055
2-[[2-methoxyethyl(propan-2-yl)carbamoyl]-methylamino]butanoic acid
CID 82951996
2-[methyl-(2-propoxyacetyl)amino]butanoic acid
CID 107937887
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
N-(2-ethoxyethyl)-N,2-dimethylpropanamide
CID 11423854
2-[[2-ethoxyethyl(methyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 81056729
2-[3-(2,2-difluoroethoxy)propanoyl-methylamino]butanoic acid
CID 103205929
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
CID 105419686

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid?
The IUPAC name of 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid (CID 81058123) is 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid is CCOCCN(C)C(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid?
The InChIKey is KVXPCGBBKLWVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-9(10(14)15)13(4)11(16)12(3)7-8-17-6-2/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid?
2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxyethyl(methyl)carbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 81058123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).