benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate

C23H21NO4 — CID 102178448

IUPACbenzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
SMILESO=C(NC(c1ccccc1)[C@@H](O)C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO4/c25-21(23(27)28-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)24-22(26)19-14-8-3-9-15-19/h1-15,20-21,25H,16H2,(H,24,26)/t20?,21-/m1/s1
InChIKeyBSXPOWNLFFUVTE-BPGUCPLFSA-N
MW375.42 g/mol
LogP3.26
Rot. Bonds7

About benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate

benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate (PubChem CID 102178448) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
PubChem CID102178448
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namebenzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate
SMILESO=C(NC(c1ccccc1)[C@@H](O)C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO4/c25-21(23(27)28-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)24-22(26)19-14-8-3-9-15-19/h1-15,20-21,25H,16H2,(H,24,26)/t20?,21-/m1/s1
InChIKeyBSXPOWNLFFUVTE-BPGUCPLFSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3S)-3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoate
CID 163362380
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
3-benzamido-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 175045736
(2R,3S)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 15839659
ethyl (2S,3S)-3-[(4-tert-butylbenzoyl)amino]-2-hydroxy-3-phenylpropanoate
CID 163362379
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
2-(oxetan-3-yl)ethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 10666775
(2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanethioic S-acid
CID 18660976
N-(2-hydroxy-3-oxo-1-phenylbutyl)benzamide
CID 71218694

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate?
The IUPAC name of benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate (CID 102178448) is benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate is O=C(NC(c1ccccc1)[C@@H](O)C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate?
The InChIKey is BSXPOWNLFFUVTE-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H21NO4/c25-21(23(27)28-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)24-22(26)19-14-8-3-9-15-19/h1-15,20-21,25H,16H2,(H,24,26)/t20?,21-/m1/s1.
What are the key properties of benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate?
benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate has a molecular weight of 375.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-benzamido-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 102178448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).