2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid

C9H16N2O4S — CID 114807129

IUPAC2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C9H16N2O4S/c1-6(9(12)13)7-4-11(5-7)16(14,15)10-8-2-3-8/h6-8,10H,2-5H2,1H3,(H,12,13)
InChIKeyRDCHYWVIHUUVNI-UHFFFAOYSA-N
MW248.30 g/mol
LogP-0.36
Rot. Bonds5

About 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid

2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid (PubChem CID 114807129) has the molecular formula C9H16N2O4S and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid
PubChem CID114807129
Molecular FormulaC9H16N2O4S
Molecular Weight248.30 g/mol
Exact Mass248.08
IUPAC Name2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(S(=O)(=O)NC2CC2)C1
InChIInChI=1S/C9H16N2O4S/c1-6(9(12)13)7-4-11(5-7)16(14,15)10-8-2-3-8/h6-8,10H,2-5H2,1H3,(H,12,13)
InChIKeyRDCHYWVIHUUVNI-UHFFFAOYSA-N
XLogP-0.36
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[Methyl(propan-2-yl)sulfamoyl]azetidin-3-yl]acetic acid
CID 64617023
2-Methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 80540254
4-[[Butyl(methyl)sulfamoyl]amino]-2-methylbutanoic acid
CID 80540305
4-[[Butyl(methyl)sulfamoyl]amino]-3-methylbutanoic acid
CID 81066030
3-Methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 81066545
(3S,4S)-1-(cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 105578955
4-[2-Methylpropylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 113637919
4-(Cyclopropylsulfamoylamino)-2-methylbutanoic acid
CID 114533481
4-(Cyclopropylsulfamoylamino)-3-methylbutanoic acid
CID 114533498
4-[Cyclopropylsulfamoyl(methyl)amino]butanoic acid
CID 114533537
4-[Cyclopropylsulfamoyl(propan-2-yl)amino]butanoic acid
CID 114805546
1-(Cyclopropylsulfamoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114806145

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid (CID 114807129) is 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(S(=O)(=O)NC2CC2)C1.
What is the InChIKey of 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is RDCHYWVIHUUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S/c1-6(9(12)13)7-4-11(5-7)16(14,15)10-8-2-3-8/h6-8,10H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid?
2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 248.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylsulfamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 114807129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).