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

C9H14N2O2S — CID 146242469

IUPAC2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCNC(c1nccs1)C(C)(C)C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-9(2,8(12)13)6(10-3)7-11-4-5-14-7/h4-6,10H,1-3H3,(H,12,13)
InChIKeyUSGPNXXIUKHJNJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.51
Rot. Bonds4

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

2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 146242469) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID146242469
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCNC(c1nccs1)C(C)(C)C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-9(2,8(12)13)6(10-3)7-11-4-5-14-7/h4-6,10H,1-3H3,(H,12,13)
InChIKeyUSGPNXXIUKHJNJ-UHFFFAOYSA-N
XLogP1.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid (CID 146242469) is 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid is CNC(c1nccs1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is USGPNXXIUKHJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-9(2,8(12)13)6(10-3)7-11-4-5-14-7/h4-6,10H,1-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid?
2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 214.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 146242469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).