(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid

C9H12N2O4S — CID 10214581

IUPAC(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O4S/c1-6(9(12)13)7-2-4-8(5-3-7)11-16(10,14)15/h2-6,11H,1H3,(H,12,13)(H2,10,14,15)/t6-/m1/s1
InChIKeyUNKXDLJSYWRNKS-ZCFIWIBFSA-N
MW244.27 g/mol
LogP0.49
Rot. Bonds4

About (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid

(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid (PubChem CID 10214581) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
PubChem CID10214581
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C9H12N2O4S/c1-6(9(12)13)7-2-4-8(5-3-7)11-16(10,14)15/h2-6,11H,1H3,(H,12,13)(H2,10,14,15)/t6-/m1/s1
InChIKeyUNKXDLJSYWRNKS-ZCFIWIBFSA-N
XLogP0.49
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
2-[4-(carbamothioylamino)phenyl]propanoic acid
CID 87347956
(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136415
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
benzene;(sulfamoylamino)benzene
CID 174742453
methyl acetate;(sulfamoylamino)benzene
CID 174769394
(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136408
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
2-[[4-(1-carboxyethyl)phenyl]carbamoyl]prop-2-enoic acid
CID 21492263
sodium [(2R)-2-[4-(propan-2-ylsulfonylamino)phenyl]propanoyl]azanide
CID 131727857
2-phenylpropanoic acid;hydrate
CID 139796091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid?
The IUPAC name of (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid (CID 10214581) is (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid is C[C@@H](C(=O)O)c1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid?
The InChIKey is UNKXDLJSYWRNKS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6(9(12)13)7-2-4-8(5-3-7)11-16(10,14)15/h2-6,11H,1H3,(H,12,13)(H2,10,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid?
(2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(sulfamoylamino)phenyl]propanoic acid is sourced from PubChem (CID 10214581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).