methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate

C18H19NO4 — CID 163550251

IUPACmethyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)[C@H](O)C(c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-19(17(21)14-11-7-4-8-12-14)15(16(20)18(22)23-2)13-9-5-3-6-10-13/h3-12,15-16,20H,1-2H3/t15?,16-/m1/s1
InChIKeyFILSBTZJFNHDTC-OEMAIJDKSA-N
MW313.35 g/mol
LogP2.03
Rot. Bonds5

About methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate

methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate (PubChem CID 163550251) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate
PubChem CID163550251
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)[C@H](O)C(c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-19(17(21)14-11-7-4-8-12-14)15(16(20)18(22)23-2)13-9-5-3-6-10-13/h3-12,15-16,20H,1-2H3/t15?,16-/m1/s1
InChIKeyFILSBTZJFNHDTC-OEMAIJDKSA-N
XLogP2.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
CID 11781471
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
methyl (2S,3R)-3-[benzyl-[(1R)-1-phenylethyl]amino]-2-hydroxy-3-phenylpropanoate
CID 10023243
methyl 3-chloro-2-hydroxy-3-phenylpropanoate
CID 20606306
methyl 2-hydroxy-3-(hydroxyamino)-3-phenylpropanoate
CID 151638252
CID 19990303
CID 19990303
N-methyl-N-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 11119051
N-[2-(dimethylamino)-1-phenylethyl]-N-methylbenzamide
CID 91054783
1-O-(1,3-dioxo-1,3-diphenylpropan-2-yl) 4-O-methyl 2,3-dihydroxybutanedioate
CID 141186850
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate (CID 163550251) is methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate is COC(=O)[C@H](O)C(c1ccccc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate?
The InChIKey is FILSBTZJFNHDTC-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19(17(21)14-11-7-4-8-12-14)15(16(20)18(22)23-2)13-9-5-3-6-10-13/h3-12,15-16,20H,1-2H3/t15?,16-/m1/s1.
What are the key properties of methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate?
methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate has a molecular weight of 313.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 163550251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).