2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid

C11H22N2O4 — CID 64603274

IUPAC2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCC(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(6-7-17-5)12-10(16)13(4)11(2,3)9(14)15/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyKTBGPIQXTQEOSK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds6

About 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid

2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 64603274) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID64603274
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCC(C)NC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-8(6-7-17-5)12-10(16)13(4)11(2,3)9(14)15/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15)
InChIKeyKTBGPIQXTQEOSK-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454
2-methyl-2-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 62821500
2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
CID 81088551
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820777
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
2-[2,3-dimethylbutylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 64599223
3-hydroxy-4-(4-methoxybutan-2-ylamino)butanoic acid
CID 103254890
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923
3-[tert-butyl(4-methoxybutan-2-yl)amino]propanoic acid
CID 65058573
2-[dimethylaminocarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 83017661

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid (CID 64603274) is 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid is COCCC(C)NC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is KTBGPIQXTQEOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-8(6-7-17-5)12-10(16)13(4)11(2,3)9(14)15/h8H,6-7H2,1-5H3,(H,12,16)(H,14,15).
What are the key properties of 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid?
2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxybutan-2-ylcarbamoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 64603274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).