4-amino-4-(1,3-oxazol-5-yl)butanoic acid

C7H10N2O3 — CID 82598143

IUPAC4-amino-4-(1,3-oxazol-5-yl)butanoic acid
SMILESNC(CCC(=O)O)c1cnco1
InChIInChI=1S/C7H10N2O3/c8-5(1-2-7(10)11)6-3-9-4-12-6/h3-5H,1-2,8H2,(H,10,11)
InChIKeyYYZBCYIJJPEQNR-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.54
Rot. Bonds4

About 4-amino-4-(1,3-oxazol-5-yl)butanoic acid

4-amino-4-(1,3-oxazol-5-yl)butanoic acid (PubChem CID 82598143) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 4-amino-4-(1,3-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(1,3-oxazol-5-yl)butanoic acid
PubChem CID82598143
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name4-amino-4-(1,3-oxazol-5-yl)butanoic acid
SMILESNC(CCC(=O)O)c1cnco1
InChIInChI=1S/C7H10N2O3/c8-5(1-2-7(10)11)6-3-9-4-12-6/h3-5H,1-2,8H2,(H,10,11)
InChIKeyYYZBCYIJJPEQNR-UHFFFAOYSA-N
XLogP0.54
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(1,3-oxazol-5-yl)butanoic acid
CID 82598142
4-amino-4-(5-amino-3-pyridinyl)butanoic acid
CID 55269479
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
4-amino-4-(5-bromo-3-pyridinyl)butanoic acid
CID 84709705
4-amino-4-(5-methyl-1,2-oxazol-4-yl)butanoic acid
CID 82601922
4-amino-4-(4-chloro-1,2-thiazol-5-yl)butanoic acid
CID 84686276
(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid
CID 55269109
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
CID 55265570
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
4-amino-4-(5-ethoxycarbonyl-3-pyridinyl)butanoic acid
CID 165346080
(4R)-4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 28744449

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(1,3-oxazol-5-yl)butanoic acid?
The IUPAC name of 4-amino-4-(1,3-oxazol-5-yl)butanoic acid (CID 82598143) is 4-amino-4-(1,3-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 4-amino-4-(1,3-oxazol-5-yl)butanoic acid?
The canonical SMILES for 4-amino-4-(1,3-oxazol-5-yl)butanoic acid is NC(CCC(=O)O)c1cnco1.
What is the InChIKey of 4-amino-4-(1,3-oxazol-5-yl)butanoic acid?
The InChIKey is YYZBCYIJJPEQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-5(1-2-7(10)11)6-3-9-4-12-6/h3-5H,1-2,8H2,(H,10,11).
What are the key properties of 4-amino-4-(1,3-oxazol-5-yl)butanoic acid?
4-amino-4-(1,3-oxazol-5-yl)butanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(1,3-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 82598143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).