(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid

C8H13N3O4S — CID 30053681

IUPAC(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C8H13N3O4S/c1-2-16(14,15)11-7(8(12)13)3-6-4-9-5-10-6/h4-5,7,11H,2-3H2,1H3,(H,9,10)(H,12,13)/t7-/m1/s1
InChIKeySXQNMGALQOBWCV-SSDOTTSWSA-N
MW247.28 g/mol
LogP-0.66
Rot. Bonds6

About (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid

(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 30053681) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID30053681
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILESCCS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C8H13N3O4S/c1-2-16(14,15)11-7(8(12)13)3-6-4-9-5-10-6/h4-5,7,11H,2-3H2,1H3,(H,9,10)(H,12,13)/t7-/m1/s1
InChIKeySXQNMGALQOBWCV-SSDOTTSWSA-N
XLogP-0.66
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)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

3-(1H-imidazol-5-yl)-2-(2-methoxyethylsulfonylamino)propanoic acid
CID 55010076
(2S)-3-(1H-imidazol-5-yl)-2-(3-methylbutylsulfonylamino)propanoic acid
CID 63856584
(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid;hydrochloride
CID 18611837
(2R)-2-(cyclohexylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894418
CID 162305209
CID 162305209
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
3-(1H-imidazol-5-yl)-2-(1H-pyrazol-4-ylsulfonylamino)propanoic acid
CID 54937478
2-(2-ethylbutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 43184423
2-[(2-formylphenyl)sulfonylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 89326469
3-(1H-imidazol-5-yl)-2-[(3-methylphenyl)sulfonylamino]propanoic acid
CID 16777074
(2S)-2-(carbonochloridoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 175906172
(2S)-2-[2-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]hydrazinyl]-3-methylbutanoic acid
CID 175768754

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid (CID 30053681) is (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid is CCS(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is SXQNMGALQOBWCV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-2-16(14,15)11-7(8(12)13)3-6-4-9-5-10-6/h4-5,7,11H,2-3H2,1H3,(H,9,10)(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid?
(2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 247.28 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylsulfonylamino)-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 30053681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).