(2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid

C7H14N2O6S — CID 107564885

IUPAC(2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)NC(=O)OC)C(=O)O
InChIInChI=1S/C7H14N2O6S/c1-3-4-5(6(10)11)8-16(13,14)9-7(12)15-2/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyYDLBBPJOFGCRQM-YFKPBYRVSA-N
MW254.26 g/mol
LogP-0.57
Rot. Bonds6

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

(2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid (PubChem CID 107564885) has the molecular formula C7H14N2O6S and a molecular weight of 254.26 g/mol. Its IUPAC name is (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid
PubChem CID107564885
Molecular FormulaC7H14N2O6S
Molecular Weight254.26 g/mol
Exact Mass254.06
IUPAC Name(2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)NC(=O)OC)C(=O)O
InChIInChI=1S/C7H14N2O6S/c1-3-4-5(6(10)11)8-16(13,14)9-7(12)15-2/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeyYDLBBPJOFGCRQM-YFKPBYRVSA-N
XLogP-0.57
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid?
The IUPAC name of (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid (CID 107564885) is (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid is CCC[C@H](NS(=O)(=O)NC(=O)OC)C(=O)O.
What is the InChIKey of (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid?
The InChIKey is YDLBBPJOFGCRQM-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O6S/c1-3-4-5(6(10)11)8-16(13,14)9-7(12)15-2/h5,8H,3-4H2,1-2H3,(H,9,12)(H,10,11)/t5-/m0/s1.
What are the key properties of (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid?
(2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid has a molecular weight of 254.26 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxycarbonylsulfamoylamino)pentanoic acid is sourced from PubChem (CID 107564885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).