2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid

C13H18N2O4S — CID 120519603

IUPAC2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C13H18N2O4S/c1-2-5-15(8-11(16)17)13(18)10-7-14-12(20-10)9-4-3-6-19-9/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyXGWQVVPZQMTWQD-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.93
Rot. Bonds6

About 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid (PubChem CID 120519603) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
PubChem CID120519603
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnc(C2CCCO2)s1
InChIInChI=1S/C13H18N2O4S/c1-2-5-15(8-11(16)17)13(18)10-7-14-12(20-10)9-4-3-6-19-9/h7,9H,2-6,8H2,1H3,(H,16,17)
InChIKeyXGWQVVPZQMTWQD-UHFFFAOYSA-N
XLogP1.93
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic 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-[3-ethoxypropyl-[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-methylpropanoic acid
CID 120520335
2-[propyl-(2-propyl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 119204826
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381
[(1S,2R)-2-methylcyclopropyl]methyl 2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carboxylate
CID 97099428
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
CID 120519095
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120522164
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]benzoic acid
CID 120515303
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
3-methyl-1-[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 120529355

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid (CID 120519603) is 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cnc(C2CCCO2)s1.
What is the InChIKey of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
The InChIKey is XGWQVVPZQMTWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-2-5-15(8-11(16)17)13(18)10-7-14-12(20-10)9-4-3-6-19-9/h7,9H,2-6,8H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid?
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 120519603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).