(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide

C13H20N2O2S — CID 103798204

IUPAC(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide
SMILESCC(CCNC(=O)[C@H](N)c1ccccc1)S(C)=O
InChIInChI=1S/C13H20N2O2S/c1-10(18(2)17)8-9-15-13(16)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/t10?,12-,18?/m1/s1
InChIKeyWQZGBHLHWZZETI-UNYNQTTQSA-N
MW268.38 g/mol
LogP0.96
Rot. Bonds6

About (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide

(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide (PubChem CID 103798204) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide
PubChem CID103798204
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide
SMILESCC(CCNC(=O)[C@H](N)c1ccccc1)S(C)=O
InChIInChI=1S/C13H20N2O2S/c1-10(18(2)17)8-9-15-13(16)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/t10?,12-,18?/m1/s1
InChIKeyWQZGBHLHWZZETI-UNYNQTTQSA-N
XLogP0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 114006849
(2S)-4-[[(2S)-2-amino-2-phenylacetyl]amino]-2-hydroxybutanoic acid
CID 107836300
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)-2-phenylacetic acid
CID 104866571
(2S)-2-amino-N-(7-methyloctyl)-2-phenylacetamide
CID 104897653
5-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylpentanoic acid
CID 103870672
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-amino-N-(2-methylbutyl)-2-phenylacetamide
CID 62693520
2-amino-N-(2-ethylsulfonylethyl)-2-phenylacetamide
CID 113264121

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide (CID 103798204) is (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide is CC(CCNC(=O)[C@H](N)c1ccccc1)S(C)=O.
What is the InChIKey of (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide?
The InChIKey is WQZGBHLHWZZETI-UNYNQTTQSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(18(2)17)8-9-15-13(16)12(14)11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/t10?,12-,18?/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide?
(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide has a molecular weight of 268.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide is sourced from PubChem (CID 103798204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).