(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride

C10H11ClN2O5S — CID 122685898

IUPAC(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride
SMILESC[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)O.Cl
InChIInChI=1S/C10H10N2O5S.ClH/c1-6(10(13)14)12-18(15,16)9-4-7-5-11-3-2-8(7)17-9;/h2-6,12H,1H3,(H,13,14);1H/t6-;/m0./s1
InChIKeyDCCQLRGALQRAFK-RGMNGODLSA-N
MW306.73 g/mol
LogP1.00
Rot. Bonds4

About (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride

(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride (PubChem CID 122685898) has the molecular formula C10H11ClN2O5S and a molecular weight of 306.73 g/mol. Its IUPAC name is (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride
PubChem CID122685898
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.73 g/mol
Exact Mass306.01
IUPAC Name(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride
SMILESC[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)O.Cl
InChIInChI=1S/C10H10N2O5S.ClH/c1-6(10(13)14)12-18(15,16)9-4-7-5-11-3-2-8(7)17-9;/h2-6,12H,1H3,(H,13,14);1H/t6-;/m0./s1
InChIKeyDCCQLRGALQRAFK-RGMNGODLSA-N
XLogP1.00
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonylfuro[3,2-c]pyridine
CID 118288688
(2R)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid
CID 54991574
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2S)-2-[(4-ethoxy-3-pyridinyl)sulfonylamino]propanoic acid
CID 122069813
2-propan-2-ylfuro[3,2-c]pyridine
CID 20602980
2-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154780512
2-(1-benzofuran-2-ylsulfonylamino)-2-cyclopropylacetic acid
CID 136533044
2-[[3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanoic acid
CID 67702705
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
(2S)-2-(isoquinolin-5-ylsulfonylamino)propanoic acid;piperazine-1-carboxamide
CID 22876291
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
3-(1-benzofuran-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 154782457

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride (CID 122685898) is (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride is C[C@H](NS(=O)(=O)c1cc2cnccc2o1)C(=O)O.Cl.
What is the InChIKey of (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride?
The InChIKey is DCCQLRGALQRAFK-RGMNGODLSA-N. The full InChI is InChI=1S/C10H10N2O5S.ClH/c1-6(10(13)14)12-18(15,16)9-4-7-5-11-3-2-8(7)17-9;/h2-6,12H,1H3,(H,13,14);1H/t6-;/m0./s1.
What are the key properties of (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride?
(2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride has a molecular weight of 306.73 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furo[3,2-c]pyridin-2-ylsulfonylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 122685898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).