3-(1,2-oxazol-5-ylmethylamino)propanoic acid

C7H10N2O3 — CID 43466757

IUPAC3-(1,2-oxazol-5-ylmethylamino)propanoic acid
SMILESO=C(O)CCNCc1ccno1
InChIInChI=1S/C7H10N2O3/c10-7(11)2-3-8-5-6-1-4-9-12-6/h1,4,8H,2-3,5H2,(H,10,11)
InChIKeyBNRQVNGEUANQKI-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.24
Rot. Bonds5

About 3-(1,2-oxazol-5-ylmethylamino)propanoic acid

3-(1,2-oxazol-5-ylmethylamino)propanoic acid (PubChem CID 43466757) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-(1,2-oxazol-5-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,2-oxazol-5-ylmethylamino)propanoic acid
PubChem CID43466757
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-(1,2-oxazol-5-ylmethylamino)propanoic acid
SMILESO=C(O)CCNCc1ccno1
InChIInChI=1S/C7H10N2O3/c10-7(11)2-3-8-5-6-1-4-9-12-6/h1,4,8H,2-3,5H2,(H,10,11)
InChIKeyBNRQVNGEUANQKI-UHFFFAOYSA-N
XLogP0.24
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
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
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
1,1-difluoro-N-(1,2-oxazol-5-ylmethyl)propan-2-amine
CID 106414984
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 106417404
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazol-5-ylmethylamino)propanoic acid?
The IUPAC name of 3-(1,2-oxazol-5-ylmethylamino)propanoic acid (CID 43466757) is 3-(1,2-oxazol-5-ylmethylamino)propanoic acid.
What is the SMILES notation for 3-(1,2-oxazol-5-ylmethylamino)propanoic acid?
The canonical SMILES for 3-(1,2-oxazol-5-ylmethylamino)propanoic acid is O=C(O)CCNCc1ccno1.
What is the InChIKey of 3-(1,2-oxazol-5-ylmethylamino)propanoic acid?
The InChIKey is BNRQVNGEUANQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-7(11)2-3-8-5-6-1-4-9-12-6/h1,4,8H,2-3,5H2,(H,10,11).
What are the key properties of 3-(1,2-oxazol-5-ylmethylamino)propanoic acid?
3-(1,2-oxazol-5-ylmethylamino)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazol-5-ylmethylamino)propanoic acid is sourced from PubChem (CID 43466757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).