ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate

C18H21NO4 — CID 101189874

IUPACethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
SMILESCCOC(=O)[C@H](O)[C@H](Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-3-23-18(21)17(20)16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)22-2/h4-12,16-17,19-20H,3H2,1-2H3/t16-,17-/m1/s1
InChIKeyJQWTYTRFQTYOHH-IAGOWNOFSA-N
MW315.37 g/mol
LogP2.77
Rot. Bonds7

About ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate

ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate (PubChem CID 101189874) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
PubChem CID101189874
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
SMILESCCOC(=O)[C@H](O)[C@H](Nc1ccccc1OC)c1ccccc1
InChIInChI=1S/C18H21NO4/c1-3-23-18(21)17(20)16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)22-2/h4-12,16-17,19-20H,3H2,1-2H3/t16-,17-/m1/s1
InChIKeyJQWTYTRFQTYOHH-IAGOWNOFSA-N
XLogP2.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
(1R,2R)-2-(2-methoxyanilino)-1,2-diphenylethanol
CID 11174608
ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
ethyl 3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoate
CID 75062409
ethyl 2-(2-methoxyanilino)-3,3-dimethylbutanoate
CID 61326624
ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate
CID 102001487
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
3-hydroxy-4-(2-methoxyanilino)-4-(4-nitrophenyl)butan-2-one
CID 102188855
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate (CID 101189874) is ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate is CCOC(=O)[C@H](O)[C@H](Nc1ccccc1OC)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate?
The InChIKey is JQWTYTRFQTYOHH-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H21NO4/c1-3-23-18(21)17(20)16(13-9-5-4-6-10-13)19-14-11-7-8-12-15(14)22-2/h4-12,16-17,19-20H,3H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate?
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate has a molecular weight of 315.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate is sourced from PubChem (CID 101189874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).