2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid

C10H16N2O3 — CID 112716588

IUPAC2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
SMILESCC(C)c1cc(C(C)C(N)C(=O)O)no1
InChIInChI=1S/C10H16N2O3/c1-5(2)8-4-7(12-15-8)6(3)9(11)10(13)14/h4-6,9H,11H2,1-3H3,(H,13,14)
InChIKeyGLJUIFWLCVUQDO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.31
Rot. Bonds4

About 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid

2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid (PubChem CID 112716588) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
PubChem CID112716588
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
SMILESCC(C)c1cc(C(C)C(N)C(=O)O)no1
InChIInChI=1S/C10H16N2O3/c1-5(2)8-4-7(12-15-8)6(3)9(11)10(13)14/h4-6,9H,11H2,1-3H3,(H,13,14)
InChIKeyGLJUIFWLCVUQDO-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Myxofacycline A
CID 169492381
Myxofacycline B
CID 169492382
Myxofacycline C
CID 169492383
[3-(Pentan-3-yl)-1,2-oxazol-5-yl]methanamine
CID 54595351
3-(5-(Aminomethyl)-1,2-oxazol-3-yl)propanoic acid hydrochloride
CID 155821169
4,4,4-Trifluoro-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83919764
3-(5-Cyclopropyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
CID 126844095
3-(5-Tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine hydrochloride
CID 126844122
3-(5-Tert-butyl-1,2-oxazol-3-yl)-1,1,1-trifluoropropan-2-amine
CID 126844123
3-(3-Methyl-5-isoxazolyl)alanine
CID 1201404
2-Amino-3-[3-(2-carboxyethyl)-5-methyl-1,2-oxazol-4-yl]propanoic acid
CID 10014596
2-Amino-3-(3-methyl-1,2-oxazol-5-yl)propanoic acid
CID 15944600

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The IUPAC name of 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid (CID 112716588) is 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid is CC(C)c1cc(C(C)C(N)C(=O)O)no1.
What is the InChIKey of 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
The InChIKey is GLJUIFWLCVUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(2)8-4-7(12-15-8)6(3)9(11)10(13)14/h4-6,9H,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid?
2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid is sourced from PubChem (CID 112716588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).