methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate

C9H17NO4 — CID 73120908

IUPACmethyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C(C)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-5(2)7(9(13)14-4)10-8(12)6(3)11/h5-7,11H,1-4H3,(H,10,12)
InChIKeyWDKOBPGTYYAAKJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.32
Rot. Bonds4

About methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate

methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate (PubChem CID 73120908) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate
PubChem CID73120908
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)C(C)O)C(C)C
InChIInChI=1S/C9H17NO4/c1-5(2)7(9(13)14-4)10-8(12)6(3)11/h5-7,11H,1-4H3,(H,10,12)
InChIKeyWDKOBPGTYYAAKJ-UHFFFAOYSA-N
XLogP-0.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate?
The IUPAC name of methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate (CID 73120908) is methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate?
The canonical SMILES for methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate is COC(=O)C(NC(=O)C(C)O)C(C)C.
What is the InChIKey of methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate?
The InChIKey is WDKOBPGTYYAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(2)7(9(13)14-4)10-8(12)6(3)11/h5-7,11H,1-4H3,(H,10,12).
What are the key properties of methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate?
methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate has a molecular weight of 203.24 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxypropanoylamino)-3-methylbutanoate is sourced from PubChem (CID 73120908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).