3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

C9H12N2O5 — CID 81076607

IUPAC3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1oncc1C)C(=O)O
InChIInChI=1S/C9H12N2O5/c1-5-3-10-16-7(5)8(12)11-6(4-15-2)9(13)14/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyBGBOTIGBRORHEE-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.19
Rot. Bonds5

About 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid

3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 81076607) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID81076607
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCOCC(NC(=O)c1oncc1C)C(=O)O
InChIInChI=1S/C9H12N2O5/c1-5-3-10-16-7(5)8(12)11-6(4-15-2)9(13)14/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyBGBOTIGBRORHEE-UHFFFAOYSA-N
XLogP-0.19
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic 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

(2R)-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906343
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 66336140
2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-2-phenylacetic acid
CID 66335537
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
(2S)-2-hydroxy-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 107834816
N-[(2S)-2-hydroxypropyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 83029629
3-methoxy-2-[(5-propyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 72870049
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 81078067
N-(2-ethylbutyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 115668320

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 81076607) is 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is COCC(NC(=O)c1oncc1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is BGBOTIGBRORHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O5/c1-5-3-10-16-7(5)8(12)11-6(4-15-2)9(13)14/h3,6H,4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 228.20 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81076607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).