2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid

C9H18N2O4S — CID 66213666

IUPAC2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(C1CNC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-3-4-11(8-5-10-6-8)16(14,15)7(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyPIFLHANZYRLTPJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.53
Rot. Bonds6

About 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid

2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid (PubChem CID 66213666) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
PubChem CID66213666
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid
SMILESCCCN(C1CNC1)S(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C9H18N2O4S/c1-3-4-11(8-5-10-6-8)16(14,15)7(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyPIFLHANZYRLTPJ-UHFFFAOYSA-N
XLogP-0.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]propanoate
CID 63300934
2-[cyclopropyl(2-methoxyethyl)sulfamoyl]propanoic acid
CID 61457985
2-[cyclobutyl(3-hydroxypropyl)sulfamoyl]propanoic acid
CID 102860989
N-(diethylsulfamoyl)-N-propylazetidin-3-amine
CID 66214667
2-[azetidin-3-yl(propyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 66214520
2-[cyclopropyl(piperidin-4-ylmethyl)sulfamoyl]propanoic acid
CID 79717086
2-[cyclopropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55011179
2-[butyl(ethyl)sulfamoyl]propanoic acid
CID 61454716
N-[cyclohexyl(methyl)sulfamoyl]-N-propylazetidin-3-amine
CID 66213871
2-[azetidin-3-yl(propyl)amino]propanamide
CID 66216282
4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 66216482
2-[azetidin-3-yl(propyl)amino]-N-cyclohexyl-N-propan-2-ylacetamide
CID 66215693

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid (CID 66213666) is 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid is CCCN(C1CNC1)S(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid?
The InChIKey is PIFLHANZYRLTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-3-4-11(8-5-10-6-8)16(14,15)7(2)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid?
2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid has a molecular weight of 250.32 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 66213666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).