(2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid

C6H12N2O6S — CID 107823925

IUPAC(2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@H](NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H12N2O6S/c1-14-5(9)3-2-4(6(10)11)8-15(7,12)13/h4,8H,2-3H2,1H3,(H,10,11)(H2,7,12,13)/t4-/m0/s1
InChIKeyONFLXCBTLZIQTJ-BYPYZUCNSA-N
MW240.24 g/mol
LogP-1.81
Rot. Bonds6

About (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid

(2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid (PubChem CID 107823925) has the molecular formula C6H12N2O6S and a molecular weight of 240.24 g/mol. Its IUPAC name is (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid
PubChem CID107823925
Molecular FormulaC6H12N2O6S
Molecular Weight240.24 g/mol
Exact Mass240.04
IUPAC Name(2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@H](NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C6H12N2O6S/c1-14-5(9)3-2-4(6(10)11)8-15(7,12)13/h4,8H,2-3H2,1H3,(H,10,11)(H2,7,12,13)/t4-/m0/s1
InChIKeyONFLXCBTLZIQTJ-BYPYZUCNSA-N
XLogP-1.81
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Dowex 50
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Monoammonium glutamate monohydrate
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(2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
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L-glutamate gamma-methyl ester
CID 21115276
2-Azaniumyl-5-methoxy-5-oxopentanoate
CID 71463447
L-Glutamic acid ammonium salt
CID 23618774
5-methyl D-glutamate
CID 111219
L-Glutamic acid, 5-methyl ester, hydrochloride (1:1)
CID 12679624

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid?
The IUPAC name of (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid (CID 107823925) is (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid is COC(=O)CC[C@H](NS(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid?
The InChIKey is ONFLXCBTLZIQTJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O6S/c1-14-5(9)3-2-4(6(10)11)8-15(7,12)13/h4,8H,2-3H2,1H3,(H,10,11)(H2,7,12,13)/t4-/m0/s1.
What are the key properties of (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid?
(2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid has a molecular weight of 240.24 g/mol, XLogP of -1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-5-oxo-2-(sulfamoylamino)pentanoic acid is sourced from PubChem (CID 107823925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).