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

C12H16N2O4 — CID 120522817

IUPAC3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-6(5-9(15)16)13-11(17)10-7(2)14-12(18-10)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUTIYQEDNPRGTCF-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.45
Rot. Bonds5

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

3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (PubChem CID 120522817) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
PubChem CID120522817
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)NC(C)CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-6(5-9(15)16)13-11(17)10-7(2)14-12(18-10)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyUTIYQEDNPRGTCF-UHFFFAOYSA-N
XLogP1.45
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid (CID 120522817) is 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is Cc1nc(C2CC2)oc1C(=O)NC(C)CC(=O)O.
What is the InChIKey of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
The InChIKey is UTIYQEDNPRGTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-6(5-9(15)16)13-11(17)10-7(2)14-12(18-10)8-3-4-8/h6,8H,3-5H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid?
3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120522817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).