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

C8H10N2O4 — CID 83617838

IUPAC(2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
SMILESCc1coc(C(=O)N[C@@H](C)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-4-3-14-7(9-4)6(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyLBTUNTVQINJRPS-YFKPBYRVSA-N
MW198.18 g/mol
LogP0.19
Rot. Bonds3

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

(2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid (PubChem CID 83617838) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
PubChem CID83617838
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
SMILESCc1coc(C(=O)N[C@@H](C)C(=O)O)n1
InChIInChI=1S/C8H10N2O4/c1-4-3-14-7(9-4)6(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyLBTUNTVQINJRPS-YFKPBYRVSA-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

(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
CID 110835139
2-methyl-3-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid
CID 110835158
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81361666
4-methyl-1,3-oxazole-2-carboxamide
CID 15116130
2-hydroxy-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
CID 82415982
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
(2R)-2-[[4-[[(1R)-1-carboxyethyl]carbamoyl]benzoyl]amino]propanoic acid
CID 40571784
2-[[4-(1-carboxyethylcarbamoyl)benzoyl]amino]propanoic acid
CID 4130949
4-(4-methyl-1,3-oxazol-2-yl)-4-oxobutanoic acid
CID 82407415
(2S)-2-[(2-methylpyrimidine-4-carbonyl)amino]propanoic acid
CID 110836208
2-[[3,6-diamino-5-(1-carboxyethylcarbamoyl)pyrazine-2-carbonyl]amino]propanoic acid
CID 175866216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid (CID 83617838) is (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid is Cc1coc(C(=O)N[C@@H](C)C(=O)O)n1.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
The InChIKey is LBTUNTVQINJRPS-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-3-14-7(9-4)6(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid?
(2S)-2-[(4-methyl-1,3-oxazole-2-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 (2S)-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 83617838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).