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

C8H10N2O4 — CID 28777806

IUPAC(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](C)C(=O)O)on1
InChIInChI=1S/C8H10N2O4/c1-4-3-6(14-10-4)7(11)9-5(2)8(12)13/h3,5H,1-2H3,(H,9,11)(H,12,13)/t5-/m1/s1
InChIKeyZQLXEXVKAYVCHJ-RXMQYKEDSA-N
MW198.18 g/mol
LogP0.19
Rot. Bonds3

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

(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 28777806) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID28777806
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1cc(C(=O)N[C@H](C)C(=O)O)on1
InChIInChI=1S/C8H10N2O4/c1-4-3-6(14-10-4)7(11)9-5(2)8(12)13/h3,5H,1-2H3,(H,9,11)(H,12,13)/t5-/m1/s1
InChIKeyZQLXEXVKAYVCHJ-RXMQYKEDSA-N
XLogP0.19
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94114367
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
N-(1-iodo-3-methylbutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107859861
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2-oxazole-5-carboxamide
CID 51257536
N-(1-chloro-4-methylpentan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 114300759
3-methyl-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]-1,2-oxazole-5-carboxamide
CID 46823792

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 28777806) is (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is Cc1cc(C(=O)N[C@H](C)C(=O)O)on1.
What is the InChIKey of (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is ZQLXEXVKAYVCHJ-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-3-6(14-10-4)7(11)9-5(2)8(12)13/h3,5H,1-2H3,(H,9,11)(H,12,13)/t5-/m1/s1.
What are the key properties of (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28777806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).