2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid

C14H21N3O4S — CID 154840056

IUPAC2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(Cc1cccnc1)S(=O)(=O)NC1CC1
InChIInChI=1S/C14H21N3O4S/c1-10(2)13(14(18)19)17(9-11-4-3-7-15-8-11)22(20,21)16-12-5-6-12/h3-4,7-8,10,12-13,16H,5-6,9H2,1-2H3,(H,18,19)
InChIKeySLHWSHHFZRJOLZ-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.99
Rot. Bonds8

About 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid

2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid (PubChem CID 154840056) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
PubChem CID154840056
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N(Cc1cccnc1)S(=O)(=O)NC1CC1
InChIInChI=1S/C14H21N3O4S/c1-10(2)13(14(18)19)17(9-11-4-3-7-15-8-11)22(20,21)16-12-5-6-12/h3-4,7-8,10,12-13,16H,5-6,9H2,1-2H3,(H,18,19)
InChIKeySLHWSHHFZRJOLZ-UHFFFAOYSA-N
XLogP0.99
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 23657693
(2R)-2-[[(2E,4E)-5-methoxycarbonylhepta-2,4,6-trien-2-yl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid
CID 89373332
(2R)-N-hydroxy-2-[(4-hydroxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide
CID 91799153
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
(2R)-N-hydroxy-3-methyl-2-[(4-phenoxypiperidin-1-yl)sulfonyl-(pyridin-3-ylmethyl)amino]butanamide
CID 18727198
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
1-N,4-N-dicyclopropyl-4-N-(pyridin-3-ylmethyl)benzene-1,4-disulfonamide
CID 55564950
2-tert-butyl-N-cyclopropyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47076770
2-[pyridin-3-ylmethyl(thiophen-2-ylsulfonyl)amino]propanoic acid
CID 154740383
2-[(2-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanoic acid
CID 167877301
4-(hydroxymethyl)-N-(1-hydroxy-4-methyl-2-oxopentan-3-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 163928939
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid?
The IUPAC name of 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid (CID 154840056) is 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid is CC(C)C(C(=O)O)N(Cc1cccnc1)S(=O)(=O)NC1CC1.
What is the InChIKey of 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid?
The InChIKey is SLHWSHHFZRJOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10(2)13(14(18)19)17(9-11-4-3-7-15-8-11)22(20,21)16-12-5-6-12/h3-4,7-8,10,12-13,16H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid?
2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid has a molecular weight of 327.41 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylsulfamoyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 154840056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).