3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid

C12H17N3O5S — CID 61201501

IUPAC3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid
SMILESNS(=O)(=O)CCNC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17N3O5S/c13-21(19,20)7-6-14-12(18)15-10(11(16)17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)
InChIKeyRFKVWSWRNFXRFD-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.73
Rot. Bonds7

About 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid

3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid (PubChem CID 61201501) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid
PubChem CID61201501
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid
SMILESNS(=O)(=O)CCNC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H17N3O5S/c13-21(19,20)7-6-14-12(18)15-10(11(16)17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)
InChIKeyRFKVWSWRNFXRFD-UHFFFAOYSA-N
XLogP-0.73
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2S)-2-(2-acetamidoethylcarbamoylamino)-3-phenylpropanoic acid
CID 61201697
2-(3,3-dimethylbutylcarbamoylamino)-3-phenylpropanoic acid
CID 61481285
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
(2S)-2-(3-methoxypropylcarbamoylamino)-3-phenylpropanoic acid
CID 2001021
(2R)-2-(3-methylsulfinylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 104902504
2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 4019220
2-(2,2-difluoroethylcarbamoylamino)-3-phenylpropanoic acid
CID 112703481
2-[2-[2-(butylamino)ethylamino]ethylcarbamoylamino]-3-phenylpropanoic acid
CID 141392105
(2R)-2-(3-cyclopropylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 104902528
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid?
The IUPAC name of 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid (CID 61201501) is 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid is NS(=O)(=O)CCNC(=O)NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid?
The InChIKey is RFKVWSWRNFXRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c13-21(19,20)7-6-14-12(18)15-10(11(16)17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)(H2,13,19,20)(H2,14,15,18).
What are the key properties of 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid?
3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid has a molecular weight of 315.35 g/mol, XLogP of -0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(2-sulfamoylethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 61201501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).