3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid

C10H16N2O3 — CID 100983614

IUPAC3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc([C@@H](N)CC(C)C)c1C(=O)O
InChIInChI=1S/C10H16N2O3/c1-5(2)4-7(11)9-8(10(13)14)6(3)15-12-9/h5,7H,4,11H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyWSLYBXHPBRIZQG-ZETCQYMHSA-N
MW212.25 g/mol
LogP1.73
Rot. Bonds4

About 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid

3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 100983614) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID100983614
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc([C@@H](N)CC(C)C)c1C(=O)O
InChIInChI=1S/C10H16N2O3/c1-5(2)4-7(11)9-8(10(13)14)6(3)15-12-9/h5,7H,4,11H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyWSLYBXHPBRIZQG-ZETCQYMHSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid (CID 100983614) is 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc([C@@H](N)CC(C)C)c1C(=O)O.
What is the InChIKey of 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is WSLYBXHPBRIZQG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(2)4-7(11)9-8(10(13)14)6(3)15-12-9/h5,7H,4,11H2,1-3H3,(H,13,14)/t7-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid?
3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-amino-3-methylbutyl]-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 100983614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).