3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid

C13H17NO4S — CID 43361844

IUPAC3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C13H17NO4S/c15-12(16)8-9-19(17,18)14-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2,(H,15,16)
InChIKeyHCMBJPKEFCARME-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.53
Rot. Bonds7

About 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid

3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid (PubChem CID 43361844) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid
PubChem CID43361844
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NC(c1ccccc1)C1CC1
InChIInChI=1S/C13H17NO4S/c15-12(16)8-9-19(17,18)14-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2,(H,15,16)
InChIKeyHCMBJPKEFCARME-UHFFFAOYSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Phenylmethanesulfonamido)propanoic acid
CID 4083565
(N-benzylaminosulfonyl)acetic acid
CID 28773962
N-[(S)-cyclopropyl(phenyl)methyl]butane-1-sulfonamide
CID 95761813
3-[[4-(Trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 62881647
(2R)-2-amino-3-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 70945713
2-Amino-3-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 70945714
2-[(Benzylsulfonyl)amino]-4-methylpentanoic acid
CID 239915
4-[(2-Fluorophenyl)methylsulfamoyl]butanoic acid
CID 28513541
4-[(4-Fluorophenyl)methylsulfamoyl]butanoic acid
CID 28513545
4-[2-(2-Fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513594
4-[2-(4-Fluorophenyl)ethylsulfamoyl]butanoic acid
CID 28513599
3-[(2-Fluorophenyl)methylsulfamoyl]propanoic acid
CID 28514114

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid (CID 43361844) is 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NC(c1ccccc1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid?
The InChIKey is HCMBJPKEFCARME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-12(16)8-9-19(17,18)14-13(11-6-7-11)10-4-2-1-3-5-10/h1-5,11,13-14H,6-9H2,(H,15,16).
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid?
3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43361844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).