(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid

C13H18N2O7S — CID 9403870

IUPAC(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H18N2O7S/c1-21-8-3-5-10(22-2)11(7-8)23(19,20)15-9(13(17)18)4-6-12(14)16/h3,5,7,9,15H,4,6H2,1-2H3,(H2,14,16)(H,17,18)/t9-/m0/s1
InChIKeyJFWJJKWXZAHSCT-VIFPVBQESA-N
MW346.36 g/mol
LogP-0.30
Rot. Bonds9

About (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 9403870) has the molecular formula C13H18N2O7S and a molecular weight of 346.36 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID9403870
Molecular FormulaC13H18N2O7S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC Name(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)c1
InChIInChI=1S/C13H18N2O7S/c1-21-8-3-5-10(22-2)11(7-8)23(19,20)15-9(13(17)18)4-6-12(14)16/h3,5,7,9,15H,4,6H2,1-2H3,(H2,14,16)(H,17,18)/t9-/m0/s1
InChIKeyJFWJJKWXZAHSCT-VIFPVBQESA-N
XLogP-0.30
TPSA145.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-ethylsulfonylbutanoic acid
CID 108781283
(2S)-5-amino-2-[(3-methoxyphenyl)sulfonylamino]-5-oxopentanoic acid
CID 81264713
(2S)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 9115180
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]pentanoic acid
CID 43631274
4-amino-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 43092547
(2S)-4-amino-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 61142085
(2S)-2-[(5-bromo-2-methoxyphenyl)sulfonylamino]hexanoic acid
CID 104934669
(2R)-2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 9115181
tert-butyl 2-[(2,5-dimethoxyphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 3740117
2-[(2,5-dimethoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 86776629

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid (CID 9403870) is (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid is COc1ccc(OC)c(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)O)c1.
What is the InChIKey of (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is JFWJJKWXZAHSCT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N2O7S/c1-21-8-3-5-10(22-2)11(7-8)23(19,20)15-9(13(17)18)4-6-12(14)16/h3,5,7,9,15H,4,6H2,1-2H3,(H2,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 346.36 g/mol, XLogP of -0.30, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2,5-dimethoxyphenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 9403870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).