2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid

C17H18N2O3S — CID 75472233

IUPAC2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
SMILESCc1nc(-c2cccc(C(=O)NC(C)(C(=O)O)C3CC3)c2)cs1
InChIInChI=1S/C17H18N2O3S/c1-10-18-14(9-23-10)11-4-3-5-12(8-11)15(20)19-17(2,16(21)22)13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXKSGEPFJFJGIFI-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.10
Rot. Bonds5

About 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid

2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid (PubChem CID 75472233) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
PubChem CID75472233
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
SMILESCc1nc(-c2cccc(C(=O)NC(C)(C(=O)O)C3CC3)c2)cs1
InChIInChI=1S/C17H18N2O3S/c1-10-18-14(9-23-10)11-4-3-5-12(8-11)15(20)19-17(2,16(21)22)13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyXKSGEPFJFJGIFI-UHFFFAOYSA-N
XLogP3.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid with MolForge

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Related Compounds

N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[(2-hydroxycyclopentyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111471390
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 43341336
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 111482579
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
N-(2-amino-1-cyclohexylethyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 119591379
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 119573611
N-(3-aminobutyl)-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 119498471
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
N-[(2R)-2-(ethylamino)propyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120652084

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid (CID 75472233) is 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid is Cc1nc(-c2cccc(C(=O)NC(C)(C(=O)O)C3CC3)c2)cs1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid?
The InChIKey is XKSGEPFJFJGIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-18-14(9-23-10)11-4-3-5-12(8-11)15(20)19-17(2,16(21)22)13-6-7-13/h3-5,8-9,13H,6-7H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid?
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid has a molecular weight of 330.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 75472233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).