3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid

C7H10N2O2S — CID 146242621

IUPAC3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCNC(CC(=O)O)c1nccs1
InChIInChI=1S/C7H10N2O2S/c1-8-5(4-6(10)11)7-9-2-3-12-7/h2-3,5,8H,4H2,1H3,(H,10,11)
InChIKeyLTCPZQXRNFFWNA-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.88
Rot. Bonds4

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

3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 146242621) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID146242621
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCNC(CC(=O)O)c1nccs1
InChIInChI=1S/C7H10N2O2S/c1-8-5(4-6(10)11)7-9-2-3-12-7/h2-3,5,8H,4H2,1H3,(H,10,11)
InChIKeyLTCPZQXRNFFWNA-UHFFFAOYSA-N
XLogP0.88
TPSA62.22 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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid (CID 146242621) is 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid is CNC(CC(=O)O)c1nccs1.
What is the InChIKey of 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is LTCPZQXRNFFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-8-5(4-6(10)11)7-9-2-3-12-7/h2-3,5,8H,4H2,1H3,(H,10,11).
What are the key properties of 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 146242621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).