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

C7H10N2O2S — CID 82602304

IUPAC3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(N)CC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-4-3-9-7(12-4)5(8)2-6(10)11/h3,5H,2,8H2,1H3,(H,10,11)
InChIKeyHAQIUSFFHRTCTB-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.93
Rot. Bonds3

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

3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (PubChem CID 82602304) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
PubChem CID82602304
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid
SMILESCc1cnc(C(N)CC(=O)O)s1
InChIInChI=1S/C7H10N2O2S/c1-4-3-9-7(12-4)5(8)2-6(10)11/h3,5H,2,8H2,1H3,(H,10,11)
InChIKeyHAQIUSFFHRTCTB-UHFFFAOYSA-N
XLogP0.93
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid (CID 82602304) is 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is Cc1cnc(C(N)CC(=O)O)s1.
What is the InChIKey of 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
The InChIKey is HAQIUSFFHRTCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-3-9-7(12-4)5(8)2-6(10)11/h3,5H,2,8H2,1H3,(H,10,11).
What are the key properties of 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid?
3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid has a molecular weight of 186.24 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 82602304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).