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

C18H19NO3 — CID 11781471

IUPACmethyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(17(20)15-11-7-4-8-12-15)16(18(21)22-2)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m1/s1
InChIKeyQSRSKZNJSUHUJA-MRXNPFEDSA-N
MW297.35 g/mol
LogP2.54
Rot. Bonds5

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

methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate (PubChem CID 11781471) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
PubChem CID11781471
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-19(17(20)15-11-7-4-8-12-15)16(18(21)22-2)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m1/s1
InChIKeyQSRSKZNJSUHUJA-MRXNPFEDSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[methyl(3-sulfanylpropanoyl)amino]-3-phenylpropanoate
CID 87696057
methyl (2S)-2-[[4-(3-hydroxy-2,2-dimethyl-4-oxo-1-propan-2-ylazetidin-3-yl)benzoyl]-methylamino]-3-phenylpropanoate
CID 15946505
methyl (2S)-2-[(2-azidobenzoyl)-methylamino]-3-phenylpropanoate
CID 11035133
methyl (2S)-3-(4-aminophenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 70072973
methyl 2-(dibenzylamino)-3-[4-[(dibenzylamino)methyl]phenyl]propanoate
CID 134946688
(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-3-phenylpropanoic acid
CID 18663513
methyl (2S)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 14560184
3-acetyloxy-2-[benzoyl(methyl)amino]propanoic acid
CID 70816908
methyl (2S)-2-[methyl-[(2S,3S)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoyl]amino]-3-phenylpropanoate
CID 175780814
2-[benzoyl(methyl)amino]-3-(2-methoxyphenyl)propanoic acid
CID 102571645
methyl (2S)-2-(N-(2-chloroacetyl)-4-methoxyanilino)-3-phenylpropanoate
CID 102387641
methyl 2-benzyl-3-oxobutanoate
CID 10679785

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate (CID 11781471) is methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate?
The InChIKey is QSRSKZNJSUHUJA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-19(17(20)15-11-7-4-8-12-15)16(18(21)22-2)13-14-9-5-3-6-10-14/h3-12,16H,13H2,1-2H3/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate?
methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate has a molecular weight of 297.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[benzoyl(methyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 11781471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).