(2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid

C8H16N2O6S — CID 107564878

IUPAC(2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)NC(=O)OCC)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-5-6(7(11)12)9-17(14,15)10-8(13)16-4-2/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyPXWMZAMCJAAJLN-LURJTMIESA-N
MW268.29 g/mol
LogP-0.18
Rot. Bonds7

About (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid

(2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid (PubChem CID 107564878) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid
PubChem CID107564878
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name(2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)NC(=O)OCC)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-5-6(7(11)12)9-17(14,15)10-8(13)16-4-2/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKeyPXWMZAMCJAAJLN-LURJTMIESA-N
XLogP-0.18
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid (CID 107564878) is (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid is CCC[C@H](NS(=O)(=O)NC(=O)OCC)C(=O)O.
What is the InChIKey of (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid?
The InChIKey is PXWMZAMCJAAJLN-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-3-5-6(7(11)12)9-17(14,15)10-8(13)16-4-2/h6,9H,3-5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid?
(2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxycarbonylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 107564878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).