4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid

C14H21N3O5S — CID 119357149

IUPAC4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H21N3O5S/c1-14(2,7-5-13(19)20)17-12(18)6-9-16-23(21,22)11-4-3-8-15-10-11/h3-4,8,10,16H,5-7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyICKPSZIPGKSDHN-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.51
Rot. Bonds9

About 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid

4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid (PubChem CID 119357149) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
PubChem CID119357149
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC Name4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C14H21N3O5S/c1-14(2,7-5-13(19)20)17-12(18)6-9-16-23(21,22)11-4-3-8-15-10-11/h3-4,8,10,16H,5-7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyICKPSZIPGKSDHN-UHFFFAOYSA-N
XLogP0.51
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 119357610
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119607953
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
N-piperidin-4-yl-3-(pyridin-3-ylsulfonylamino)propanamide;dihydrochloride
CID 119389033
N-propylpyridine-3-sulfonamide
CID 43258995
6-(benzenesulfonamido)-4,4-dimethylhexanoic acid
CID 65284771
N-[4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]phenyl]cyclopropanecarboxamide
CID 43072776
4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid
CID 119357185
N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
methyl 7-(pyridin-3-ylsulfonylamino)heptanoate
CID 87038191

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid (CID 119357149) is 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid?
The InChIKey is ICKPSZIPGKSDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-14(2,7-5-13(19)20)17-12(18)6-9-16-23(21,22)11-4-3-8-15-10-11/h3-4,8,10,16H,5-7,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid?
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid has a molecular weight of 343.41 g/mol, XLogP of 0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid is sourced from PubChem (CID 119357149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).