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

C7H10N2O2S — CID 82405816

IUPAC2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid
SMILESNCC(Cc1ccns1)C(=O)O
InChIInChI=1S/C7H10N2O2S/c8-4-5(7(10)11)3-6-1-2-9-12-6/h1-2,5H,3-4,8H2,(H,10,11)
InChIKeyGEGLWOFWJNTIHJ-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.35
Rot. Bonds4

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

2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid (PubChem CID 82405816) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid
PubChem CID82405816
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid
SMILESNCC(Cc1ccns1)C(=O)O
InChIInChI=1S/C7H10N2O2S/c8-4-5(7(10)11)3-6-1-2-9-12-6/h1-2,5H,3-4,8H2,(H,10,11)
InChIKeyGEGLWOFWJNTIHJ-UHFFFAOYSA-N
XLogP0.35
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid (CID 82405816) is 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid is NCC(Cc1ccns1)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid?
The InChIKey is GEGLWOFWJNTIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c8-4-5(7(10)11)3-6-1-2-9-12-6/h1-2,5H,3-4,8H2,(H,10,11).
What are the key properties of 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid?
2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1,2-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82405816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).