2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid

C19H26N2O5S — CID 119202341

IUPAC2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-13-6-7-15(18(22)21(16-8-9-16)14(2)19(23)24)12-17(13)27(25,26)20-10-4-3-5-11-20/h6-7,12,14,16H,3-5,8-11H2,1-2H3,(H,23,24)
InChIKeyJQDZTMUVADSVJV-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.25
Rot. Bonds6

About 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid

2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid (PubChem CID 119202341) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
PubChem CID119202341
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
SMILESCc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H26N2O5S/c1-13-6-7-15(18(22)21(16-8-9-16)14(2)19(23)24)12-17(13)27(25,26)20-10-4-3-5-11-20/h6-7,12,14,16H,3-5,8-11H2,1-2H3,(H,23,24)
InChIKeyJQDZTMUVADSVJV-UHFFFAOYSA-N
XLogP2.25
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55624988
3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)-propan-2-ylamino]propanoic acid
CID 119206881
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 45429250
N-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8919230
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid (CID 119202341) is 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid is Cc1ccc(C(=O)N(C2CC2)C(C)C(=O)O)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
The InChIKey is JQDZTMUVADSVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-13-6-7-15(18(22)21(16-8-9-16)14(2)19(23)24)12-17(13)27(25,26)20-10-4-3-5-11-20/h6-7,12,14,16H,3-5,8-11H2,1-2H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid?
2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid has a molecular weight of 394.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 119202341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).