methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate

C17H20N2O4S — CID 167889643

IUPACmethyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)Cc1ccccn1
InChIInChI=1S/C17H20N2O4S/c1-19(24(21,22)13-15-10-6-7-11-18-15)16(17(20)23-2)12-14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1
InChIKeyVOAYCWJQZBKDOT-MRXNPFEDSA-N
MW348.42 g/mol
LogP1.63
Rot. Bonds7

About methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate

methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate (PubChem CID 167889643) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate
PubChem CID167889643
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Namemethyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)Cc1ccccn1
InChIInChI=1S/C17H20N2O4S/c1-19(24(21,22)13-15-10-6-7-11-18-15)16(17(20)23-2)12-14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1
InChIKeyVOAYCWJQZBKDOT-MRXNPFEDSA-N
XLogP1.63
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4-aminophenyl)sulfonyl-methylamino]-N-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 15906447
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
bis[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-prop-2-enylamino]-oxophosphanium
CID 15499310
methyl 2-[formyl-[6-[formyl-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-pyridinyl]amino]-3-phenylpropanoate
CID 91472944
methyl (2S)-2-[methyl(3-sulfanylpropanoyl)amino]-3-phenylpropanoate
CID 87696057
methyl 2-phenyl-2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 62110186
acetic acid;2-(methylsulfonylmethyl)pyridine
CID 174445775
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 2-(dibenzylamino)-3-[4-[(dibenzylamino)methyl]phenyl]propanoate
CID 134946688
2-methoxy-2-phenyl-N-(pyridin-2-ylmethylsulfonyl)acetamide
CID 167984020

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate (CID 167889643) is methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)N(C)S(=O)(=O)Cc1ccccn1.
What is the InChIKey of methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate?
The InChIKey is VOAYCWJQZBKDOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-19(24(21,22)13-15-10-6-7-11-18-15)16(17(20)23-2)12-14-8-4-3-5-9-14/h3-11,16H,12-13H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate?
methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate has a molecular weight of 348.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[methyl(pyridin-2-ylmethylsulfonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 167889643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).