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

C13H18N2O4 — CID 75368325

IUPAC5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)C2CCCC2)c1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-7-10(13(17)18)11(19-15-7)8(2)14-12(16)9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyKRZSYUUNHVLHTO-MRVPVSSYSA-N
MW266.30 g/mol
LogP2.05
Rot. Bonds4

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

5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 75368325) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID75368325
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1noc([C@@H](C)NC(=O)C2CCCC2)c1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-7-10(13(17)18)11(19-15-7)8(2)14-12(16)9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,14,16)(H,17,18)/t8-/m1/s1
InChIKeyKRZSYUUNHVLHTO-MRVPVSSYSA-N
XLogP2.05
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid (CID 75368325) is 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is Cc1noc([C@@H](C)NC(=O)C2CCCC2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is KRZSYUUNHVLHTO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-10(13(17)18)11(19-15-7)8(2)14-12(16)9-5-3-4-6-9/h8-9H,3-6H2,1-2H3,(H,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).