(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid

C13H18N2O4S — CID 122069433

IUPAC(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
SMILESCC1CCN(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O4S/c1-10-7-8-15(9-10)20(18,19)14-12(13(16)17)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyLKAJCQPIBJZMGD-TVKKRMFBSA-N
MW298.36 g/mol
LogP0.99
Rot. Bonds5

About (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid

(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid (PubChem CID 122069433) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
PubChem CID122069433
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
SMILESCC1CCN(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O4S/c1-10-7-8-15(9-10)20(18,19)14-12(13(16)17)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1
InChIKeyLKAJCQPIBJZMGD-TVKKRMFBSA-N
XLogP0.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(3R)-3-methylpiperidin-1-yl]sulfonylamino]-2-phenylacetamide
CID 100853100
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylamino]-2-phenylacetamide
CID 100851411
N-(2-chloro-1-phenylethyl)-4-methylpiperidine-1-sulfonamide
CID 65030816
(3R)-N-[(1R,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylpiperidine-1-sulfonamide
CID 100605032
(2S)-2-(4-fluorophenyl)-2-[(4-methoxypiperidin-1-yl)sulfonylamino]acetic acid
CID 167907126
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
(2S)-2-[(4-methylpiperidin-1-yl)sulfonylamino]propanoic acid
CID 28784048
4-[[[(3R)-3-methylpyrrolidin-1-yl]sulfonylamino]methyl]benzoic acid
CID 129466996
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide
CID 97340029
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid (CID 122069433) is (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid is CC1CCN(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid?
The InChIKey is LKAJCQPIBJZMGD-TVKKRMFBSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10-7-8-15(9-10)20(18,19)14-12(13(16)17)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3,(H,16,17)/t10?,12-/m1/s1.
What are the key properties of (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid?
(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid has a molecular weight of 298.36 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid is sourced from PubChem (CID 122069433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).