3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid

C10H16N2O3 — CID 83835219

IUPAC3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid
SMILESCc1cc(C(CC(=O)O)NC(C)C)no1
InChIInChI=1S/C10H16N2O3/c1-6(2)11-8(5-10(13)14)9-4-7(3)15-12-9/h4,6,8,11H,5H2,1-3H3,(H,13,14)
InChIKeyKXVZZCXKUNAJLR-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.50
Rot. Bonds5

About 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid

3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid (PubChem CID 83835219) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid
PubChem CID83835219
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid
SMILESCc1cc(C(CC(=O)O)NC(C)C)no1
InChIInChI=1S/C10H16N2O3/c1-6(2)11-8(5-10(13)14)9-4-7(3)15-12-9/h4,6,8,11H,5H2,1-3H3,(H,13,14)
InChIKeyKXVZZCXKUNAJLR-UHFFFAOYSA-N
XLogP1.50
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-(5-methyl-1,2-oxazol-3-yl)propanoic acid
CID 83828821
N-[1-(5-methyl-1,2-oxazol-3-yl)ethyl]propan-2-amine
CID 130891221
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
3-(5-propan-2-yl-1,2-oxazol-3-yl)butanoic acid
CID 83831331
2-amino-4-methyl-3-(5-methyl-1,2-oxazol-3-yl)pentanoic acid
CID 112716587
3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62828358
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763
3-(4-fluorophenyl)-3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]propanoic acid
CID 91647036
N-methyl-2-(5-methyl-1,2-oxazol-3-yl)propan-1-amine
CID 83826432
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
3-(1-iodoethyl)-5-methyl-1,2-oxazole
CID 122594172
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid (CID 83835219) is 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid is Cc1cc(C(CC(=O)O)NC(C)C)no1.
What is the InChIKey of 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid?
The InChIKey is KXVZZCXKUNAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(2)11-8(5-10(13)14)9-4-7(3)15-12-9/h4,6,8,11H,5H2,1-3H3,(H,13,14).
What are the key properties of 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid?
3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2-oxazol-3-yl)-3-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 83835219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).