2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid

C10H20N2O5S — CID 43631516

IUPAC2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid
SMILESCCCC(NCCS(=O)(=O)CCC(N)=O)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-2-3-8(10(14)15)12-5-7-18(16,17)6-4-9(11)13/h8,12H,2-7H2,1H3,(H2,11,13)(H,14,15)
InChIKeyJNCXOQKUXYZKAR-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.88
Rot. Bonds10

About 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid

2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid (PubChem CID 43631516) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid
PubChem CID43631516
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid
SMILESCCCC(NCCS(=O)(=O)CCC(N)=O)C(=O)O
InChIInChI=1S/C10H20N2O5S/c1-2-3-8(10(14)15)12-5-7-18(16,17)6-4-9(11)13/h8,12H,2-7H2,1H3,(H2,11,13)(H,14,15)
InChIKeyJNCXOQKUXYZKAR-UHFFFAOYSA-N
XLogP-0.88
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-amino-2-(octadecylamino)-5-oxopentanoic acid
CID 54197228
(2S)-5-amino-2-(dodecylamino)-5-oxopentanoic acid;hydrochloride
CID 174954933
2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812
5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid;butane-1,1-diamine
CID 174410111
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288
2-(2-propoxyethylamino)pentanoic acid
CID 106454592
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
CID 106174583
2-(2-sulfoethylamino)pentanedioic acid
CID 18425093
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide
CID 25395916
(2S)-5-amino-2-(4-aminobutylamino)-5-oxopentanoic acid
CID 6453601
(2S)-5-amino-2-(4-hydroxybutylamino)-5-oxopentanoic acid
CID 21134302

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid?
The IUPAC name of 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid (CID 43631516) is 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid?
The canonical SMILES for 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid is CCCC(NCCS(=O)(=O)CCC(N)=O)C(=O)O.
What is the InChIKey of 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid?
The InChIKey is JNCXOQKUXYZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-2-3-8(10(14)15)12-5-7-18(16,17)6-4-9(11)13/h8,12H,2-7H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid?
2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.88, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid is sourced from PubChem (CID 43631516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).