(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride

C13H15ClN2O4S — CID 70154426

IUPAC(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
SMILESCl.NC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H14N2O4S.ClH/c14-8-12(13(16)17)15-20(18,19)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12,15H,8,14H2,(H,16,17);1H/t12-;/m0./s1
InChIKeyTWAVURHMAFIALS-YDALLXLXSA-N
MW330.79 g/mol
LogP0.95
Rot. Bonds5

About (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride

(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride (PubChem CID 70154426) has the molecular formula C13H15ClN2O4S and a molecular weight of 330.79 g/mol. Its IUPAC name is (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
PubChem CID70154426
Molecular FormulaC13H15ClN2O4S
Molecular Weight330.79 g/mol
Exact Mass330.04
IUPAC Name(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride
SMILESCl.NC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H14N2O4S.ClH/c14-8-12(13(16)17)15-20(18,19)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12,15H,8,14H2,(H,16,17);1H/t12-;/m0./s1
InChIKeyTWAVURHMAFIALS-YDALLXLXSA-N
XLogP0.95
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid
CID 2055040
2-(naphthalen-2-ylsulfonylamino)butanoate
CID 4110803
(2R)-2-(naphthalen-2-ylsulfonylamino)butanoate
CID 6923633
(2R)-3-(4-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54073929
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoic acid
CID 54042088
(2R,3S)-3-hydroxy-2-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 1083656
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
2-(naphthalen-2-ylsulfonylamino)-2-phenylacetate
CID 5210543
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride?
The IUPAC name of (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride (CID 70154426) is (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride is Cl.NC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride?
The InChIKey is TWAVURHMAFIALS-YDALLXLXSA-N. The full InChI is InChI=1S/C13H14N2O4S.ClH/c14-8-12(13(16)17)15-20(18,19)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12,15H,8,14H2,(H,16,17);1H/t12-;/m0./s1.
What are the key properties of (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride?
(2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride has a molecular weight of 330.79 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(naphthalen-2-ylsulfonylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 70154426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).