(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole

C8H16N2O3 — CID 67826607

IUPAC(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C3H5NO/c1-3(2)4(6)5(7)8;1-2-4-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);2H,1,3H2/t4-;/m0./s1
InChIKeyVBDOCCSCQXJKOE-WCCKRBBISA-N
MW188.23 g/mol
LogP0.45
Rot. Bonds2

About (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole

(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole (PubChem CID 67826607) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole
PubChem CID67826607
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole
SMILESC1=NOCC1.CC(C)[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2.C3H5NO/c1-3(2)4(6)5(7)8;1-2-4-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);2H,1,3H2/t4-;/m0./s1
InChIKeyVBDOCCSCQXJKOE-WCCKRBBISA-N
XLogP0.45
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole?
The IUPAC name of (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole (CID 67826607) is (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole?
The canonical SMILES for (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole is C1=NOCC1.CC(C)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole?
The InChIKey is VBDOCCSCQXJKOE-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2.C3H5NO/c1-3(2)4(6)5(7)8;1-2-4-5-3-1/h3-4H,6H2,1-2H3,(H,7,8);2H,1,3H2/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole?
(2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole has a molecular weight of 188.23 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methylbutanoic acid;4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 67826607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).