2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid

C11H22N2O4 — CID 61428242

IUPAC2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)CCOC
InChIInChI=1S/C11H22N2O4/c1-5-9(2)13(8-10(14)15)11(16)12(3)6-7-17-4/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyIOUJGICATHOVIC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.87
Rot. Bonds7

About 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid

2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid (PubChem CID 61428242) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
PubChem CID61428242
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N(C)CCOC
InChIInChI=1S/C11H22N2O4/c1-5-9(2)13(8-10(14)15)11(16)12(3)6-7-17-4/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyIOUJGICATHOVIC-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

Analyze 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]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

2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225
2-[butan-2-yl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61452739
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[butan-2-yl-[cyclopropylmethyl(methyl)carbamoyl]amino]acetic acid
CID 61209214
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid (CID 61428242) is 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N(C)CCOC.
What is the InChIKey of 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
The InChIKey is IOUJGICATHOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-9(2)13(8-10(14)15)11(16)12(3)6-7-17-4/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid?
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic 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-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61428242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).