methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate

C9H14N2O3 — CID 145121158

IUPACmethyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate
SMILESCOC(=O)CC(CN)c1cnc(C)o1
InChIInChI=1S/C9H14N2O3/c1-6-11-5-8(14-6)7(4-10)3-9(12)13-2/h5,7H,3-4,10H2,1-2H3
InChIKeyKHPRQHKWBMRBPQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.59
Rot. Bonds4

About methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate

methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate (PubChem CID 145121158) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate
PubChem CID145121158
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate
SMILESCOC(=O)CC(CN)c1cnc(C)o1
InChIInChI=1S/C9H14N2O3/c1-6-11-5-8(14-6)7(4-10)3-9(12)13-2/h5,7H,3-4,10H2,1-2H3
InChIKeyKHPRQHKWBMRBPQ-UHFFFAOYSA-N
XLogP0.59
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate 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 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate?
The IUPAC name of methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate (CID 145121158) is methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate.
What is the SMILES notation for methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate?
The canonical SMILES for methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate is COC(=O)CC(CN)c1cnc(C)o1.
What is the InChIKey of methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate?
The InChIKey is KHPRQHKWBMRBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-11-5-8(14-6)7(4-10)3-9(12)13-2/h5,7H,3-4,10H2,1-2H3.
What are the key properties of methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate?
methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate has a molecular weight of 198.22 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(2-methyl-1,3-oxazol-5-yl)butanoate is sourced from PubChem (CID 145121158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).