2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid

C9H16N2O5 — CID 79799154

IUPAC2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NCC(=O)OC)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4-9(2,7(13)14)11-8(15)10-5-6(12)16-3/h4-5H2,1-3H3,(H,13,14)(H2,10,11,15)
InChIKeyVSPOZMRDWWGZMY-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds5

About 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid

2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 79799154) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
PubChem CID79799154
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)NCC(=O)OC)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4-9(2,7(13)14)11-8(15)10-5-6(12)16-3/h4-5H2,1-3H3,(H,13,14)(H2,10,11,15)
InChIKeyVSPOZMRDWWGZMY-UHFFFAOYSA-N
XLogP-0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic 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-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-(but-2-ynylcarbamoylamino)-2-methylbutanoic acid
CID 62310127
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-methyl-2-(2-methylsulfanylethylcarbamoylamino)butanoic acid
CID 79801540
2-(decylcarbamoylamino)-2-methylbutanoic acid
CID 63481197
2-methyl-2-(3-methylsulfanylpropylcarbamoylamino)butanoic acid
CID 79801622
2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 103018984
2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]-2-methylbutanoic acid
CID 79798346
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-methyl-2-[4-[methyl(propan-2-yl)amino]butylcarbamoylamino]butanoic acid
CID 79801991
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid (CID 79799154) is 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)NCC(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is VSPOZMRDWWGZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-4-9(2,7(13)14)11-8(15)10-5-6(12)16-3/h4-5H2,1-3H3,(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid?
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79799154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).