(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid

C11H16N2O4S — CID 66832498

IUPAC(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)OCc1cncs1)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)8(9(14)15)13-10(16)17-5-7-4-12-6-18-7/h4,6,8H,5H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKeyOJYCJOHWGCANRL-MRVPVSSYSA-N
MW272.33 g/mol
LogP1.87
Rot. Bonds4

About (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid

(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid (PubChem CID 66832498) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid
PubChem CID66832498
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)OCc1cncs1)C(=O)O
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)8(9(14)15)13-10(16)17-5-7-4-12-6-18-7/h4,6,8H,5H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1
InChIKeyOJYCJOHWGCANRL-MRVPVSSYSA-N
XLogP1.87
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid (CID 66832498) is (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid is CC(C)(C)[C@H](NC(=O)OCc1cncs1)C(=O)O.
What is the InChIKey of (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid?
The InChIKey is OJYCJOHWGCANRL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(2,3)8(9(14)15)13-10(16)17-5-7-4-12-6-18-7/h4,6,8H,5H2,1-3H3,(H,13,16)(H,14,15)/t8-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid?
(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid has a molecular weight of 272.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethoxycarbonylamino)butanoic acid is sourced from PubChem (CID 66832498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).