methyl (2S)-2-benzamido-3-phenylmethoxypropanoate

C18H19NO4 — CID 10870709

IUPACmethyl (2S)-2-benzamido-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-22-18(21)16(13-23-12-14-8-4-2-5-9-14)19-17(20)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyIPLRUXMBNACYOM-INIZCTEOSA-N
MW313.35 g/mol
LogP2.17
Rot. Bonds7

About methyl (2S)-2-benzamido-3-phenylmethoxypropanoate

methyl (2S)-2-benzamido-3-phenylmethoxypropanoate (PubChem CID 10870709) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (2S)-2-benzamido-3-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-benzamido-3-phenylmethoxypropanoate
PubChem CID10870709
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (2S)-2-benzamido-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-22-18(21)16(13-23-12-14-8-4-2-5-9-14)19-17(20)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,19,20)/t16-/m0/s1
InChIKeyIPLRUXMBNACYOM-INIZCTEOSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
dibenzyl (2S)-2-benzamidobutanedioate
CID 14420333
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S,3R)-2-benzamido-3-hydroxy-7-phenylmethoxyheptanoate
CID 11361143

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-benzamido-3-phenylmethoxypropanoate?
The IUPAC name of methyl (2S)-2-benzamido-3-phenylmethoxypropanoate (CID 10870709) is methyl (2S)-2-benzamido-3-phenylmethoxypropanoate.
What is the SMILES notation for methyl (2S)-2-benzamido-3-phenylmethoxypropanoate?
The canonical SMILES for methyl (2S)-2-benzamido-3-phenylmethoxypropanoate is COC(=O)[C@H](COCc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2S)-2-benzamido-3-phenylmethoxypropanoate?
The InChIKey is IPLRUXMBNACYOM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19NO4/c1-22-18(21)16(13-23-12-14-8-4-2-5-9-14)19-17(20)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,19,20)/t16-/m0/s1.
What are the key properties of methyl (2S)-2-benzamido-3-phenylmethoxypropanoate?
methyl (2S)-2-benzamido-3-phenylmethoxypropanoate has a molecular weight of 313.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-benzamido-3-phenylmethoxypropanoate is sourced from PubChem (CID 10870709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).