methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate

C19H24N2O3 — CID 174390300

IUPACmethyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate
SMILESCNC(Cc1ccccc1)C(O)c1cccc(C(N)C(=O)OC)c1
InChIInChI=1S/C19H24N2O3/c1-21-16(11-13-7-4-3-5-8-13)18(22)15-10-6-9-14(12-15)17(20)19(23)24-2/h3-10,12,16-18,21-22H,11,20H2,1-2H3
InChIKeyIVNKVQUJBUZKGI-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.72
Rot. Bonds7

About methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate

methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate (PubChem CID 174390300) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate
PubChem CID174390300
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Namemethyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate
SMILESCNC(Cc1ccccc1)C(O)c1cccc(C(N)C(=O)OC)c1
InChIInChI=1S/C19H24N2O3/c1-21-16(11-13-7-4-3-5-8-13)18(22)15-10-6-9-14(12-15)17(20)19(23)24-2/h3-10,12,16-18,21-22H,11,20H2,1-2H3
InChIKeyIVNKVQUJBUZKGI-UHFFFAOYSA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-(methylamino)-4-phenylbutanoate
CID 20669273
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
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methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-amino-2-(3-methylphenyl)acetate;hydrochloride
CID 50944342
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
methyl 3-[(1S)-1-amino-2-methoxy-2-oxoethyl]benzoate
CID 171213776
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-(3-methoxyphenyl)-3-phenylpropanoate
CID 21257567
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate?
The IUPAC name of methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate (CID 174390300) is methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate.
What is the SMILES notation for methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate?
The canonical SMILES for methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate is CNC(Cc1ccccc1)C(O)c1cccc(C(N)C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate?
The InChIKey is IVNKVQUJBUZKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-21-16(11-13-7-4-3-5-8-13)18(22)15-10-6-9-14(12-15)17(20)19(23)24-2/h3-10,12,16-18,21-22H,11,20H2,1-2H3.
What are the key properties of methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate?
methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate has a molecular weight of 328.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[3-[1-hydroxy-2-(methylamino)-3-phenylpropyl]phenyl]acetate is sourced from PubChem (CID 174390300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).