(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid

C10H13N3O6S — CID 80750323

IUPAC(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C10H13N3O6S/c11-20(18,19)7-3-1-2-6(4-7)12-10(17)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,11,18,19)(H2,12,13,17)/t8-/m1/s1
InChIKeyVKJUHXQAXKRELP-MRVPVSSYSA-N
MW303.30 g/mol
LogP-1.10
Rot. Bonds5

About (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid (PubChem CID 80750323) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
PubChem CID80750323
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C10H13N3O6S/c11-20(18,19)7-3-1-2-6(4-7)12-10(17)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,11,18,19)(H2,12,13,17)/t8-/m1/s1
InChIKeyVKJUHXQAXKRELP-MRVPVSSYSA-N
XLogP-1.10
TPSA158.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 107825750
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
CID 62711551
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
dimethyl 2-[(3-sulfamoylphenyl)carbamoylamino]butanedioate
CID 166627768
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
CID 129396881
(2S)-3-hydroxy-2-[(3-thiophen-2-ylphenyl)carbamoylamino]propanoic acid
CID 154797426
2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107601798
2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 61266531
3-chloro-2-methyl-N-(3-sulfamoylphenyl)propanamide
CID 55110486

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid (CID 80750323) is (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid is NS(=O)(=O)c1cccc(NC(=O)N[C@H](CO)C(=O)O)c1.
What is the InChIKey of (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
The InChIKey is VKJUHXQAXKRELP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c11-20(18,19)7-3-1-2-6(4-7)12-10(17)13-8(5-14)9(15)16/h1-4,8,14H,5H2,(H,15,16)(H2,11,18,19)(H2,12,13,17)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid has a molecular weight of 303.30 g/mol, XLogP of -1.10, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 80750323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).