3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid

C11H16N2O4S — CID 45117872

IUPAC3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid
SMILESCC(C)(C)OC(=O)Nc1ncc(CCC(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-9-12-6-7(18-9)4-5-8(14)15/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyAQWAPXTXWILCBI-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.51
Rot. Bonds4

About 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid

3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid (PubChem CID 45117872) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid
PubChem CID45117872
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid
SMILESCC(C)(C)OC(=O)Nc1ncc(CCC(=O)O)s1
InChIInChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-9-12-6-7(18-9)4-5-8(14)15/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyAQWAPXTXWILCBI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(Dimethylamino)-1,3-thiazol-5-yl]-2,2-difluoropropanoic acid
CID 165838555
3-[2-(Trifluoroacetamido)-1,3-thiazol-5-yl]propanoic acid
CID 165938938
Methyl 3-(2-amino-1,3-thiazol-5-yl)propanoate
CID 1531267
Ethyl 3-(2-acetamido-1,3-thiazol-5-yl)propanoate
CID 10131018
tert-butyl N-(5-ethyl-1,3-thiazol-2-yl)carbamate
CID 19029578
2-(2-((tert-Butoxycarbonyl)amino)thiazol-5-yl)acetic acid
CID 20623928
2-[(2-Amino-1,3-thiazol-5-yl)methyl]propanedioic acid
CID 22036021
2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]methyl]propanedioic acid
CID 22036048
2-[[2-(Methylamino)-1,3-thiazol-5-yl]methyl]propanedioic acid;tungsten
CID 22081020
3-[2-(Methylamino)-1,3-thiazol-5-yl]propanoic acid
CID 22081023
N-[5-(3-methoxypropyl)-1,3-thiazol-2-yl]butanamide
CID 22170530
Methyl 5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoate
CID 22170747

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid (CID 45117872) is 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid is CC(C)(C)OC(=O)Nc1ncc(CCC(=O)O)s1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is AQWAPXTXWILCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(2,3)17-10(16)13-9-12-6-7(18-9)4-5-8(14)15/h6H,4-5H2,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid?
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 45117872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).