methyl 2-(2,2-dimethylpropanoylamino)propanoate

C9H17NO3 — CID 531531

IUPACmethyl 2-(2,2-dimethylpropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)
InChIKeyOTUZHOXNCVOSAC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds2

About methyl 2-(2,2-dimethylpropanoylamino)propanoate

methyl 2-(2,2-dimethylpropanoylamino)propanoate (PubChem CID 531531) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropanoylamino)propanoate
PubChem CID531531
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(2,2-dimethylpropanoylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)
InChIKeyOTUZHOXNCVOSAC-UHFFFAOYSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(2,2-dimethylpropanoylamino)propanoate 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-(2,2-dimethylpropanoylamino)propanoate?
The IUPAC name of methyl 2-(2,2-dimethylpropanoylamino)propanoate (CID 531531) is methyl 2-(2,2-dimethylpropanoylamino)propanoate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropanoylamino)propanoate?
The canonical SMILES for methyl 2-(2,2-dimethylpropanoylamino)propanoate is COC(=O)C(C)NC(=O)C(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropanoylamino)propanoate?
The InChIKey is OTUZHOXNCVOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(7(11)13-5)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12).
What are the key properties of methyl 2-(2,2-dimethylpropanoylamino)propanoate?
methyl 2-(2,2-dimethylpropanoylamino)propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropanoylamino)propanoate is sourced from PubChem (CID 531531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).