3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid

C10H19N3O4S — CID 107323968

IUPAC3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C10H19N3O4S/c11-10(9(14)15)4-7-13(8-10)18(16,17)12-5-2-1-3-6-12/h1-8,11H2,(H,14,15)
InChIKeyLKZFBOOMRQHTEV-UHFFFAOYSA-N
MW277.35 g/mol
LogP-0.80
Rot. Bonds3

About 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid

3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid (PubChem CID 107323968) has the molecular formula C10H19N3O4S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
PubChem CID107323968
Molecular FormulaC10H19N3O4S
Molecular Weight277.35 g/mol
Exact Mass277.11
IUPAC Name3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C10H19N3O4S/c11-10(9(14)15)4-7-13(8-10)18(16,17)12-5-2-1-3-6-12/h1-8,11H2,(H,14,15)
InChIKeyLKZFBOOMRQHTEV-UHFFFAOYSA-N
XLogP-0.80
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3,5-dimethylpiperidin-1-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323953
3-amino-1-(methylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324162
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
4-amino-1-methylsulfonylpiperidine-4-carboxylic acid
CID 130490742
3-amino-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107323993
3-amino-1-(propan-2-yloxycarbonylsulfamoyl)pyrrolidine-3-carboxylic acid
CID 107324102
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
3-amino-1-(2-bromophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323812
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
3-amino-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 107323845
(3S)-8-pyrrolidin-1-ylsulfonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97113028

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid (CID 107323968) is 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is LKZFBOOMRQHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S/c11-10(9(14)15)4-7-13(8-10)18(16,17)12-5-2-1-3-6-12/h1-8,11H2,(H,14,15).
What are the key properties of 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid?
3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-piperidin-1-ylsulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107323968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).