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

C8H10N2O4 — CID 81361666

IUPAC(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncoc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4-6(14-3-9-4)7(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyZKHQAEHWGTZSQV-YFKPBYRVSA-N
MW198.18 g/mol
LogP0.19
Rot. Bonds3

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

(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 81361666) 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-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID81361666
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
SMILESCc1ncoc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-4-6(14-3-9-4)7(11)10-5(2)8(12)13/h3,5H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyZKHQAEHWGTZSQV-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

4-Methyloxazole-5-carboxamide
CID 78581
5-Oxazolecarboxamide, N-acetyl-4-methyl-
CID 539390
5-(4-Methyl-1,3-oxazole-5-carbonyl)-1,5-diazacycloundecan-2-one
CID 110201373
4-Methyl-5-t-butylcarboxamidooxazole
CID 20325314
4-methyl-N-(3-methylpentan-3-yl)-1,3-oxazole-5-carboxamide
CID 72109842
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
[(2R)-3-carboxy-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 68743438
trimethyl-[(2R)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium
CID 87558165
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 71494638
3,3,3-Trifluoro-2-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid
CID 81621099
2-[(4-Methyl-1,3-oxazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81621390
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-oxazole-5-carboxamide
CID 103739174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid (CID 81361666) is (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid is Cc1ncoc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is ZKHQAEHWGTZSQV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-6(14-3-9-4)7(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-5-carbonyl)amino]propanoic acid?
(2S)-2-[(4-methyl-1,3-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 (2S)-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81361666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).