2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid

C18H20N2O4S — CID 120519095

IUPAC2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1cnc(C2CCCO2)s1)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-2-18(17(22)23,12-7-4-3-5-8-12)20-15(21)14-11-19-16(25-14)13-9-6-10-24-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyRWMJOMLTYNEFGF-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.11
Rot. Bonds6

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

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid (PubChem CID 120519095) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
PubChem CID120519095
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid
SMILESCCC(NC(=O)c1cnc(C2CCCO2)s1)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-2-18(17(22)23,12-7-4-3-5-8-12)20-15(21)14-11-19-16(25-14)13-9-6-10-24-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeyRWMJOMLTYNEFGF-UHFFFAOYSA-N
XLogP3.11
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
5-[[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110381
2-[2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526645
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]benzoic acid
CID 120515303
2-[3-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]phenyl]acetic acid
CID 120530693
2-methyl-2-[4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697118
N-[2-(3-hydroxyphenyl)ethyl]-2-(oxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 126775241
4-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524586
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120533772
2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
CID 68637832
[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]-[2-[(2R)-oxolan-2-yl]-1,3-thiazol-5-yl]methanone
CID 97080977

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid?
The IUPAC name of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid (CID 120519095) is 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid.
What is the SMILES notation for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid?
The canonical SMILES for 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid is CCC(NC(=O)c1cnc(C2CCCO2)s1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid?
The InChIKey is RWMJOMLTYNEFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-2-18(17(22)23,12-7-4-3-5-8-12)20-15(21)14-11-19-16(25-14)13-9-6-10-24-13/h3-5,7-8,11,13H,2,6,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid?
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]-2-phenylbutanoic acid has a molecular weight of 360.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 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]amino]-2-phenylbutanoic acid is sourced from PubChem (CID 120519095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).