(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid

C12H16N2O4S — CID 122069411

IUPAC(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCC1
InChIInChI=1S/C12H16N2O4S/c15-12(16)11(9-10-5-2-1-3-6-10)13-19(17,18)14-7-4-8-14/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)/t11-/m1/s1
InChIKeyITNMNDJGLYHOLO-LLVKDONJSA-N
MW284.34 g/mol
LogP0.22
Rot. Bonds6

About (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid

(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid (PubChem CID 122069411) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
PubChem CID122069411
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCC1
InChIInChI=1S/C12H16N2O4S/c15-12(16)11(9-10-5-2-1-3-6-10)13-19(17,18)14-7-4-8-14/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)/t11-/m1/s1
InChIKeyITNMNDJGLYHOLO-LLVKDONJSA-N
XLogP0.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylpiperazin-1-yl)sulfonylamino]-3-phenylpropanoic acid
CID 70057612
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
(2R)-2-(cyclohexylsulfonylamino)-3-phenylpropanoic acid
CID 104901982
N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
CID 11109622
(2R)-2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylamino]-3-phenylpropanamide
CID 98730303
2-[[4-(2-methyl-1,3-benzothiazol-5-yl)piperazin-1-yl]sulfonylamino]-3-phenylpropanoic acid
CID 143065309
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
2-(1-hydroxyethylsulfonylamino)-3-phenylpropanoic acid
CID 176961767
2-(2,3-dihydro-1H-inden-2-ylsulfonylamino)-3-phenylpropanoic acid
CID 167838567
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid (CID 122069411) is (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid is O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)N1CCC1.
What is the InChIKey of (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid?
The InChIKey is ITNMNDJGLYHOLO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O4S/c15-12(16)11(9-10-5-2-1-3-6-10)13-19(17,18)14-7-4-8-14/h1-3,5-6,11,13H,4,7-9H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid?
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid has a molecular weight of 284.34 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 122069411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).