2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid

C10H16N2O3 — CID 112716587

IUPAC2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid
SMILESCc1cc(C(C(C)C)C(N)C(=O)O)no1
InChIInChI=1S/C10H16N2O3/c1-5(2)8(9(11)10(13)14)7-4-6(3)15-12-7/h4-5,8-9H,11H2,1-3H3,(H,13,14)
InChIKeyLKWVNPQCFSITRG-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.13
Rot. Bonds4

About 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid

2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid (PubChem CID 112716587) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid
PubChem CID112716587
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid
SMILESCc1cc(C(C(C)C)C(N)C(=O)O)no1
InChIInChI=1S/C10H16N2O3/c1-5(2)8(9(11)10(13)14)7-4-6(3)15-12-7/h4-5,8-9H,11H2,1-3H3,(H,13,14)
InChIKeyLKWVNPQCFSITRG-UHFFFAOYSA-N
XLogP1.13
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid?
The IUPAC name of 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid (CID 112716587) is 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid.
What is the SMILES notation for 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid?
The canonical SMILES for 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid is Cc1cc(C(C(C)C)C(N)C(=O)O)no1.
What is the InChIKey of 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid?
The InChIKey is LKWVNPQCFSITRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(2)8(9(11)10(13)14)7-4-6(3)15-12-7/h4-5,8-9H,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid?
2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid is sourced from PubChem (CID 112716587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).