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

C9H12N2O4 — CID 62675825

IUPAC2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oncc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14)3-10-8(12)7-4-11-15-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyDJNODTGYQKRPAJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.43
Rot. Bonds4

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

2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 62675825) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID62675825
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1oncc1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-5(9(13)14)3-10-8(12)7-4-11-15-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyDJNODTGYQKRPAJ-UHFFFAOYSA-N
XLogP0.43
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492048
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 1477707
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
N-(1-hydroxypropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43501123
2-methyl-3-(1,2-oxazole-4-carbonylamino)propanoic acid
CID 83617820
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
CID 114006151
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 82786221
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 80506645

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 62675825) is 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1oncc1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is DJNODTGYQKRPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(9(13)14)3-10-8(12)7-4-11-15-6(7)2/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62675825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).