(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid

C13H17NO5S — CID 63247069

IUPAC(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)CC1CCCO1)c1ccccc1
InChIInChI=1S/C13H17NO5S/c15-13(16)12(10-5-2-1-3-6-10)14-20(17,18)9-11-7-4-8-19-11/h1-3,5-6,11-12,14H,4,7-9H2,(H,15,16)/t11?,12-/m1/s1
InChIKeyLNHUQBUOVYHFJI-PIJUOVFKSA-N
MW299.35 g/mol
LogP0.91
Rot. Bonds6

About (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid

(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid (PubChem CID 63247069) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
PubChem CID63247069
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)CC1CCCO1)c1ccccc1
InChIInChI=1S/C13H17NO5S/c15-13(16)12(10-5-2-1-3-6-10)14-20(17,18)9-11-7-4-8-19-11/h1-3,5-6,11-12,14H,4,7-9H2,(H,15,16)/t11?,12-/m1/s1
InChIKeyLNHUQBUOVYHFJI-PIJUOVFKSA-N
XLogP0.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
(2R)-3-methyl-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 79011082
(2R)-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 78927442
N-(1-hydroxy-3-phenylpropan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 63261000
4-amino-4-oxo-2-(oxolan-2-ylmethylsulfonylamino)butanoic acid
CID 63246428
3-methoxy-2-(oxolan-2-ylmethylsulfonylamino)propanoic acid
CID 81076359
N-(3-oxobutan-2-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 64994230
N-methyl-2-(oxolan-2-ylmethylsulfonyl)-2-phenylethanamine
CID 106513586
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid (CID 63247069) is (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid is O=C(O)[C@H](NS(=O)(=O)CC1CCCO1)c1ccccc1.
What is the InChIKey of (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid?
The InChIKey is LNHUQBUOVYHFJI-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H17NO5S/c15-13(16)12(10-5-2-1-3-6-10)14-20(17,18)9-11-7-4-8-19-11/h1-3,5-6,11-12,14H,4,7-9H2,(H,15,16)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid?
(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid has a molecular weight of 299.35 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid is sourced from PubChem (CID 63247069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).