2-(1,2-oxazol-5-ylmethylamino)propanoic acid

C7H10N2O3 — CID 43467356

IUPAC2-(1,2-oxazol-5-ylmethylamino)propanoic acid
SMILESCC(NCc1ccno1)C(=O)O
InChIInChI=1S/C7H10N2O3/c1-5(7(10)11)8-4-6-2-3-9-12-6/h2-3,5,8H,4H2,1H3,(H,10,11)
InChIKeyHEEJFJRHHJWCMR-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.24
Rot. Bonds4

About 2-(1,2-oxazol-5-ylmethylamino)propanoic acid

2-(1,2-oxazol-5-ylmethylamino)propanoic acid (PubChem CID 43467356) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)propanoic acid
PubChem CID43467356
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)propanoic acid
SMILESCC(NCc1ccno1)C(=O)O
InChIInChI=1S/C7H10N2O3/c1-5(7(10)11)8-4-6-2-3-9-12-6/h2-3,5,8H,4H2,1H3,(H,10,11)
InChIKeyHEEJFJRHHJWCMR-UHFFFAOYSA-N
XLogP0.24
TPSA75.36 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 ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)cyclooctanamine
CID 103604816
2-[1,2-Oxazol-5-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258437
3,3,3-Trifluoro-2-methyl-2-(1,2-oxazol-5-ylmethylamino)propanoic acid
CID 79789409
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103829349
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
6,6,6-trifluoro-N-(1,2-oxazol-5-ylmethyl)hexan-2-amine
CID 106415669
2-fluoro-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 106417424
1,1,1-Trifluoro-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 106417429
3-fluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417442
4,4,4-trifluoro-N-(1,2-oxazol-5-ylmethyl)butan-1-amine
CID 106417588
3,3,3-trifluoro-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 106417784
N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethoxy)ethanamine
CID 106417961

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)propanoic acid?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)propanoic acid (CID 43467356) is 2-(1,2-oxazol-5-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)propanoic acid?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)propanoic acid is CC(NCc1ccno1)C(=O)O.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)propanoic acid?
The InChIKey is HEEJFJRHHJWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-5(7(10)11)8-4-6-2-3-9-12-6/h2-3,5,8H,4H2,1H3,(H,10,11).
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)propanoic acid?
2-(1,2-oxazol-5-ylmethylamino)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)propanoic acid is sourced from PubChem (CID 43467356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).