2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid

C7H10N2O3 — CID 82412552

IUPAC2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid
SMILESNCC(Cc1cnco1)C(=O)O
InChIInChI=1S/C7H10N2O3/c8-2-5(7(10)11)1-6-3-9-4-12-6/h3-5H,1-2,8H2,(H,10,11)
InChIKeyCQZJZKUZBVSZJZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.12
Rot. Bonds4

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

2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid (PubChem CID 82412552) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid
PubChem CID82412552
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid
SMILESNCC(Cc1cnco1)C(=O)O
InChIInChI=1S/C7H10N2O3/c8-2-5(7(10)11)1-6-3-9-4-12-6/h3-5H,1-2,8H2,(H,10,11)
InChIKeyCQZJZKUZBVSZJZ-UHFFFAOYSA-N
XLogP-0.12
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 ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid (CID 82412552) is 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid is NCC(Cc1cnco1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid?
The InChIKey is CQZJZKUZBVSZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c8-2-5(7(10)11)1-6-3-9-4-12-6/h3-5H,1-2,8H2,(H,10,11).
What are the key properties of 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid?
2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1,3-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 82412552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).