3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid

C16H26N2O3 — CID 82329686

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid
SMILESCc1noc(C)c1CN(CCC(=O)O)C1CCCCC1C
InChIInChI=1S/C16H26N2O3/c1-11-6-4-5-7-15(11)18(9-8-16(19)20)10-14-12(2)17-21-13(14)3/h11,15H,4-10H2,1-3H3,(H,19,20)
InChIKeyNZYHVYZQUJGNPU-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.15
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid (PubChem CID 82329686) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid
PubChem CID82329686
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid
SMILESCc1noc(C)c1CN(CCC(=O)O)C1CCCCC1C
InChIInChI=1S/C16H26N2O3/c1-11-6-4-5-7-15(11)18(9-8-16(19)20)10-14-12(2)17-21-13(14)3/h11,15H,4-10H2,1-3H3,(H,19,20)
InChIKeyNZYHVYZQUJGNPU-UHFFFAOYSA-N
XLogP3.15
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid (CID 82329686) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid is Cc1noc(C)c1CN(CCC(=O)O)C1CCCCC1C.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid?
The InChIKey is NZYHVYZQUJGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-6-4-5-7-15(11)18(9-8-16(19)20)10-14-12(2)17-21-13(14)3/h11,15H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid has a molecular weight of 294.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(2-methylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 82329686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).