(2S)-2-(sulfamoylamino)pentanedioic acid

C5H10N2O6S — CID 73212792

IUPAC(2S)-2-(sulfamoylamino)pentanedioic acid
SMILESNS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1
InChIKeyZYYFXKZXQCQRTJ-VKHMYHEASA-N
MW226.21 g/mol
LogP-1.90
Rot. Bonds6

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

(2S)-2-(sulfamoylamino)pentanedioic acid (PubChem CID 73212792) has the molecular formula C5H10N2O6S and a molecular weight of 226.21 g/mol. Its IUPAC name is (2S)-2-(sulfamoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(sulfamoylamino)pentanedioic acid
PubChem CID73212792
Molecular FormulaC5H10N2O6S
Molecular Weight226.21 g/mol
Exact Mass226.03
IUPAC Name(2S)-2-(sulfamoylamino)pentanedioic acid
SMILESNS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1
InChIKeyZYYFXKZXQCQRTJ-VKHMYHEASA-N
XLogP-1.90
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

L-Glutamic Acid
CID 33032
D-Glutamic Acid
CID 23327
DL-Glutamic acid
CID 611
Glutamic Acid Hydrochloride
CID 2723891
Monosodium Glutamate
CID 23689119
Sodium Glutamate
CID 23672308
CID 88747398
CID 88747398
CID 44272391
CID 44272391
Monopotassium glutamate
CID 23695977
CID 139054390
CID 139054390
Sodium L-glutamate hydrate
CID 23666328
Sodium cocoyl glutamate
CID 23676143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(sulfamoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(sulfamoylamino)pentanedioic acid (CID 73212792) is (2S)-2-(sulfamoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(sulfamoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(sulfamoylamino)pentanedioic acid is NS(=O)(=O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-(sulfamoylamino)pentanedioic acid?
The InChIKey is ZYYFXKZXQCQRTJ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1.
What are the key properties of (2S)-2-(sulfamoylamino)pentanedioic acid?
(2S)-2-(sulfamoylamino)pentanedioic acid has a molecular weight of 226.21 g/mol, XLogP of -1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(sulfamoylamino)pentanedioic acid is sourced from PubChem (CID 73212792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).