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

C11H14N2O4 — CID 75368318

IUPAC5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)C2CC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-5-8(11(15)16)9(17-13-5)6(2)12-10(14)7-3-4-7/h6-7H,3-4H2,1-2H3,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyODARISLDPIGEAA-ZCFIWIBFSA-N
MW238.24 g/mol
LogP1.27
Rot. Bonds4

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

5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368318) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID75368318
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)C2CC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-5-8(11(15)16)9(17-13-5)6(2)12-10(14)7-3-4-7/h6-7H,3-4H2,1-2H3,(H,12,14)(H,15,16)/t6-/m1/s1
InChIKeyODARISLDPIGEAA-ZCFIWIBFSA-N
XLogP1.27
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 75368318) is 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NC(=O)C2CC2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ODARISLDPIGEAA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5-8(11(15)16)9(17-13-5)6(2)12-10(14)7-3-4-7/h6-7H,3-4H2,1-2H3,(H,12,14)(H,15,16)/t6-/m1/s1.
What are the key properties of 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).