2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid

C12H15N3O5S — CID 62711551

IUPAC2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H15N3O5S/c13-21(19,20)9-3-1-2-8(6-9)14-12(18)15-10(11(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)
InChIKeyUJMMUWSQHKWSEI-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.32
Rot. Bonds5

About 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid

2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid (PubChem CID 62711551) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
PubChem CID62711551
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
SMILESNS(=O)(=O)c1cccc(NC(=O)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C12H15N3O5S/c13-21(19,20)9-3-1-2-8(6-9)14-12(18)15-10(11(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,16,17)(H2,13,19,20)(H2,14,15,18)
InChIKeyUJMMUWSQHKWSEI-UHFFFAOYSA-N
XLogP0.32
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
2-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]acetic acid
CID 62697749
2-cyclopropyl-2-[[3-(methoxymethyl)phenyl]carbamoylamino]acetic acid
CID 62709870
(2S)-4-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 107825750
(3S)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366210
(3R)-3-[(3-sulfamoylphenyl)carbamoylamino]butanoic acid
CID 129366211
(2R)-2-[(3-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 107565988
1-[(2R)-1-phenylbutan-2-yl]-3-(3-sulfamoylphenyl)urea
CID 129396881
N-(3-sulfamoylphenyl)cycloheptanecarboxamide
CID 62590757
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
2-methyl-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 61266531
trans-(1S,2S)-2-[(3-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93365685

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid (CID 62711551) is 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid is NS(=O)(=O)c1cccc(NC(=O)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid?
The InChIKey is UJMMUWSQHKWSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c13-21(19,20)9-3-1-2-8(6-9)14-12(18)15-10(11(16)17)7-4-5-7/h1-3,6-7,10H,4-5H2,(H,16,17)(H2,13,19,20)(H2,14,15,18).
What are the key properties of 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid?
2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid has a molecular weight of 313.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 62711551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).