2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid

C17H18N2O5S — CID 138004479

IUPAC2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCC2
InChIInChI=1S/C17H18N2O5S/c20-17(21)14(11-12-6-8-18-9-7-12)19-25(22,23)15-5-1-3-13-4-2-10-24-16(13)15/h1,3,5-9,14,19H,2,4,10-11H2,(H,20,21)
InChIKeyRXUBKBNHNWTYCH-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.38
Rot. Bonds6

About 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid

2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid (PubChem CID 138004479) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid
PubChem CID138004479
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCC2
InChIInChI=1S/C17H18N2O5S/c20-17(21)14(11-12-6-8-18-9-7-12)19-25(22,23)15-5-1-3-13-4-2-10-24-16(13)15/h1,3,5-9,14,19H,2,4,10-11H2,(H,20,21)
InChIKeyRXUBKBNHNWTYCH-UHFFFAOYSA-N
XLogP1.38
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
[1-(3,4-dihydro-2H-chromen-8-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212546
(2S)-2-amino-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)-4-methylpentanamide
CID 122490834
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
cis-(1R,2S)-2-cyclopropyl-N-(3,4-dihydro-2H-chromen-8-ylsulfonyl)cyclopropane-1-carboxamide
CID 146146428
3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 138005426
N-[2-(1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-8-sulfonamide
CID 138018110
N-[(1R)-1-pyrazin-2-ylethyl]-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 126838123
methyl 2-[(2-ethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoate
CID 167924559
2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
CID 136551315
2-[(4-methoxy-3,5-dimethylphenyl)sulfonylamino]-3-pyridin-4-ylpropanoic acid
CID 136545535
(2S)-3-(4-hydroxyphenyl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid
CID 69341011

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid (CID 138004479) is 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid is O=C(O)C(Cc1ccncc1)NS(=O)(=O)c1cccc2c1OCCC2.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid?
The InChIKey is RXUBKBNHNWTYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-17(21)14(11-12-6-8-18-9-7-12)19-25(22,23)15-5-1-3-13-4-2-10-24-16(13)15/h1,3,5-9,14,19H,2,4,10-11H2,(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid?
2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid has a molecular weight of 362.41 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-8-ylsulfonylamino)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 138004479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).