2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid

C9H17NO4S — CID 2772252

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-3-8(9(11)12)10-7-4-5-15(13,14)6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyUEPXVYQJUZUWGV-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.02
Rot. Bonds5

About 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid

2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid (PubChem CID 2772252) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid
PubChem CID2772252
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid
SMILESCCCC(NC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C9H17NO4S/c1-2-3-8(9(11)12)10-7-4-5-15(13,14)6-7/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyUEPXVYQJUZUWGV-UHFFFAOYSA-N
XLogP0.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-(4-carboxybutylsulfanyl)pyrrolidine-2-carboxylic acid
CID 71740087
(2S,4R)-4-(4-carboxybutylsulfanyl)pyrrolidine-2-carboxylic acid
CID 71740210
2-[(1,1-Dioxothiolan-3-yl)amino]hexanoic acid
CID 3098778
2-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylamino)-4-methyl-pentanoic acid
CID 2772258
2-[(1,1-Dioxothiolan-3-yl)amino]butanoic acid
CID 2772248
4-(Vinylsulfonyl)pyrrolidine-2-carboxylic
CID 129879993
N-(1,1-Dioxidotetrahydro-3-Thienyl)Alanine
CID 2772238
2-[(4-Hydroxy-1,1-dioxothiolan-3-yl)amino]butanoic acid
CID 2772249
6-((1,1-Dioxidotetrahydrothiophen-3-yl)amino)hexanoic acid
CID 3098777
2-[(1,1-Dioxothiolan-3-yl)amino]-4-methylpentanoate
CID 3744405
2-[(1,1-Dioxothiolan-3-yl)amino]-3-methylbutanoic acid
CID 2857846
2-(Methylamino)-4-methylsulfonylbutanoic acid
CID 13770223

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid (CID 2772252) is 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid is CCCC(NC1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid?
The InChIKey is UEPXVYQJUZUWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-3-8(9(11)12)10-7-4-5-15(13,14)6-7/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid?
2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid has a molecular weight of 235.30 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]pentanoic acid is sourced from PubChem (CID 2772252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).