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

C10H14N2O4 — CID 110835464

IUPAC2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(C)CC(C)C(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6(10(14)15)5-12(3)9(13)8-4-11-7(2)16-8/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyRJRWBHQSWPPCJQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.78
Rot. Bonds4

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

2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 110835464) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID110835464
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncc(C(=O)N(C)CC(C)C(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6(10(14)15)5-12(3)9(13)8-4-11-7(2)16-8/h4,6H,5H2,1-3H3,(H,14,15)
InChIKeyRJRWBHQSWPPCJQ-UHFFFAOYSA-N
XLogP0.78
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-(2-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 103790895
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2-methyl-3-[methyl-(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510498
3-[(5-fluoropyridine-3-carbonyl)-methylamino]-2-methylpropanoic acid
CID 104785540
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 110702158
2-methyl-3-[methyl-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119228296
3-[(4-carbamoylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008504
2-methyl-3-[methyl-[2-[(2-methylphenyl)methoxy]benzoyl]amino]propanoic acid
CID 122111976
2-methyl-3-[methyl-[2-(5-methyl-1,3-thiazol-2-yl)propylcarbamoyl]amino]propanoic acid
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2-methyl-3-[methyl-(2-methyl-6-phenylpyridine-3-carbonyl)amino]propanoic acid
CID 120524243
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid (CID 110835464) is 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid is Cc1ncc(C(=O)N(C)CC(C)C(=O)O)o1.
What is the InChIKey of 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is RJRWBHQSWPPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(10(14)15)5-12(3)9(13)8-4-11-7(2)16-8/h4,6H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(2-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110835464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).