5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid

C10H14N2O5 — CID 75368319

IUPAC5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCOCC(=O)N[C@H](C)c1onc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O5/c1-5-8(10(14)15)9(17-12-5)6(2)11-7(13)4-16-3/h6H,4H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChIKeyJWJPISUTNFDMNR-ZCFIWIBFSA-N
MW242.23 g/mol
LogP0.50
Rot. Bonds5

About 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid

5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368319) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID75368319
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCOCC(=O)N[C@H](C)c1onc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O5/c1-5-8(10(14)15)9(17-12-5)6(2)11-7(13)4-16-3/h6H,4H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1
InChIKeyJWJPISUTNFDMNR-ZCFIWIBFSA-N
XLogP0.50
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368317
5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368318
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
5-(Cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15693004
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660681
3-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 17217273
Methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate
CID 15056707
5-(Cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylic acid
CID 15056708
5-(Tert-butylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylic acid
CID 15056712

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 75368319) is 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is COCC(=O)N[C@H](C)c1onc(C)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is JWJPISUTNFDMNR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-5-8(10(14)15)9(17-12-5)6(2)11-7(13)4-16-3/h6H,4H2,1-3H3,(H,11,13)(H,14,15)/t6-/m1/s1.
What are the key properties of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 242.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).