(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid

C11H15N3O5S — CID 119943288

IUPAC(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-8(11(16)17)14-10(15)4-6-13-20(18,19)9-3-2-5-12-7-9/h2-3,5,7-8,13H,4,6H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyGNIIOUXDBIQZOT-QMMMGPOBSA-N
MW301.32 g/mol
LogP-0.66
Rot. Bonds7

About (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid

(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid (PubChem CID 119943288) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
PubChem CID119943288
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O5S/c1-8(11(16)17)14-10(15)4-6-13-20(18,19)9-3-2-5-12-7-9/h2-3,5,7-8,13H,4,6H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyGNIIOUXDBIQZOT-QMMMGPOBSA-N
XLogP-0.66
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072375
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
CID 119238107
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119607953
4-methyl-4-[3-(pyridin-3-ylsulfonylamino)propanoylamino]pentanoic acid
CID 119357149
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
(2S)-2-(3-pyridin-3-yloxypropanoylamino)propanoic acid
CID 110837106
N-(1-aminopropan-2-yl)-N-methyl-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119584043
N-propylpyridine-3-sulfonamide
CID 43258995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid (CID 119943288) is (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid is C[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)C(=O)O.
What is the InChIKey of (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid?
The InChIKey is GNIIOUXDBIQZOT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-8(11(16)17)14-10(15)4-6-13-20(18,19)9-3-2-5-12-7-9/h2-3,5,7-8,13H,4,6H2,1H3,(H,14,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid?
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid has a molecular weight of 301.32 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 119943288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).