3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid

C11H20N2O4S — CID 60830000

IUPAC3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O4S/c14-11(15)6-9-13(10-4-5-10)18(16,17)12-7-2-1-3-8-12/h10H,1-9H2,(H,14,15)
InChIKeyDOETYZVUMYZHPB-UHFFFAOYSA-N
MW276.36 g/mol
LogP0.66
Rot. Bonds6

About 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid

3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid (PubChem CID 60830000) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
PubChem CID60830000
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Name3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid
SMILESO=C(O)CCN(C1CC1)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H20N2O4S/c14-11(15)6-9-13(10-4-5-10)18(16,17)12-7-2-1-3-8-12/h10H,1-9H2,(H,14,15)
InChIKeyDOETYZVUMYZHPB-UHFFFAOYSA-N
XLogP0.66
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54925873
1-[cyclopropyl(2-hydroxyethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858615
N-(2-chloroethyl)-N-cyclohexylpyrrolidine-1-sulfonamide
CID 63396430
N-(2-chloroethyl)-N-cyclohexylazepane-1-sulfonamide
CID 63396474
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
N-(2-bromoethyl)-N-cyclobutylpyrrolidine-1-sulfonamide
CID 102873540
N-(3-chloropropyl)-N-cyclobutylpiperidine-1-sulfonamide
CID 102873428
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567
1-[cyclopropyl(propyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857937
2-[(1,1-dioxothiolan-3-yl)-piperidin-1-ylsulfonylamino]acetic acid
CID 60829293
2-[azepan-1-ylsulfonyl(piperidin-4-yl)amino]acetamide
CID 60801061
1-[cyclopropyl(ethyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859891

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid (CID 60830000) is 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid is O=C(O)CCN(C1CC1)S(=O)(=O)N1CCCCC1.
What is the InChIKey of 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid?
The InChIKey is DOETYZVUMYZHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c14-11(15)6-9-13(10-4-5-10)18(16,17)12-7-2-1-3-8-12/h10H,1-9H2,(H,14,15).
What are the key properties of 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid?
3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid has a molecular weight of 276.36 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(piperidin-1-ylsulfonyl)amino]propanoic acid is sourced from PubChem (CID 60830000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).