methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate

C17H19NO3 — CID 67427493

IUPACmethyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-17(20)16(19)15(14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2-11,15-16,18-19H,12H2,1H3
InChIKeyQTRJMNDZEYRFSU-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.05
Rot. Bonds6

About methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate

methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate (PubChem CID 67427493) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
PubChem CID67427493
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate
SMILESCOC(=O)C(O)C(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-21-17(20)16(19)15(14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2-11,15-16,18-19H,12H2,1H3
InChIKeyQTRJMNDZEYRFSU-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 21219515
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid
CID 18655941
(2R,3S)-3-(benzylamino)-2-hydroxy-3-phenylpropanoic acid;hydrate
CID 172680795
methyl (2R)-2-[(S)-(benzylamino)-phenylmethyl]-3-methylbutanoate
CID 102070939
methyl 2-hydroxy-3-(hydroxyamino)-3-phenylpropanoate
CID 151638252
methyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15837581
methyl (3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 22865507
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
dimethyl 2-(benzylamino)propanedioate
CID 562185
1-(benzylamino)-1-phenylpropan-2-ol
CID 71723704
ethyl (2R,3R)-3-(benzylamino)-2-methyl-3-phenylpropanoate
CID 100975099
2-[(benzylamino)-phenylmethyl]propanedioic acid
CID 19764581

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate?
The IUPAC name of methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate (CID 67427493) is methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate is COC(=O)C(O)C(NCc1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate?
The InChIKey is QTRJMNDZEYRFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-17(20)16(19)15(14-10-6-3-7-11-14)18-12-13-8-4-2-5-9-13/h2-11,15-16,18-19H,12H2,1H3.
What are the key properties of methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate?
methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate has a molecular weight of 285.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzylamino)-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 67427493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).