(2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid

C7H14N2O6S — CID 166637349

IUPAC(2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid
SMILESNCCS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O6S/c8-3-4-16(14,15)9-5(7(12)13)1-2-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyNRJZBCYPVHPNRQ-YFKPBYRVSA-N
MW254.26 g/mol
LogP-1.82
Rot. Bonds8

About (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid

(2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid (PubChem CID 166637349) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid
PubChem CID166637349
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name(2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid
SMILESNCCS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O6S/c8-3-4-16(14,15)9-5(7(12)13)1-2-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyNRJZBCYPVHPNRQ-YFKPBYRVSA-N
XLogP-1.82
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-Dioxo-1,2-thiazinane-3-carboxylic acid
CID 59854248
N-Sulfamoyl-L-Glutamic Acid
CID 73212792
(2S)-2-amino-6-sulfamoylhexanoic acid
CID 11482004
Glutamate cysteine
CID 22908379
2-Amino-5-sulfopentanoic acid
CID 85801360
Carboxymethylcystine
CID 87485678
gamma-d-Glutamyl-aminomethylsulphonate
CID 129775337
2-Amino-3-fluorosulfanylpentanedioic acid
CID 143663953
(4S)-5-fluorooxy-4-(octylsulfonylamino)-5-oxopentanoic acid
CID 172738603
(4S)-4-amino-5-oxo-5-(propylsulfamoyl)pentanoic acid
CID 123329075
Cysteine-glutamate
CID 129630634
Cysteic acid glutamate
CID 129717988

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid (CID 166637349) is (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid is NCCS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid?
The InChIKey is NRJZBCYPVHPNRQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O6S/c8-3-4-16(14,15)9-5(7(12)13)1-2-6(10)11/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid?
(2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid has a molecular weight of 254.26 g/mol, XLogP of -1.82, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-aminoethylsulfonylamino)pentanedioic acid is sourced from PubChem (CID 166637349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).