tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate

C15H23NO3 — CID 24977280

IUPACtert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
SMILESCN(C)C(C(=O)OC(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)12(16(4)5)13(17)11-9-7-6-8-10-11/h6-10,12-13,17H,1-5H3
InChIKeyRGVPMDJSTJZXKI-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate

tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate (PubChem CID 24977280) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
PubChem CID24977280
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate
SMILESCN(C)C(C(=O)OC(C)(C)C)C(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(18)12(16(4)5)13(17)11-9-7-6-8-10-11/h6-10,12-13,17H,1-5H3
InChIKeyRGVPMDJSTJZXKI-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
(1R,2S)-2-(dimethylamino)-1-hydroxy-1-phenylpentan-3-one
CID 71241359
tert-butyl 3-chloro-3-oxo-2-phenylpropanoate
CID 20529658
tert-butyl (2R,3R)-3-hydroxy-2-[(R)-(4-methylphenyl)sulfinyl]-3-phenylpropanoate
CID 11132146
(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylbutanoic acid
CID 174297435
tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
tert-butyl 2-benzhydryloxypropanoate
CID 19020212
(3S,4R,5R)-3-(dimethylamino)-4,6-dihydroxy-5-methyl-6-phenylhexan-2-one
CID 71016776
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711
tert-butyl (2R)-2-(difluoromethylsulfonylamino)-2-phenylacetate
CID 80999965
2-O-tert-butyl 1-O,1-O-diethyl 2-(N-methylanilino)ethane-1,1,2-tricarboxylate
CID 102384054
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3,3-diphenylpropanoic acid
CID 18352705

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate?
The IUPAC name of tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate (CID 24977280) is tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate.
What is the SMILES notation for tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate?
The canonical SMILES for tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate is CN(C)C(C(=O)OC(C)(C)C)C(O)c1ccccc1.
What is the InChIKey of tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate?
The InChIKey is RGVPMDJSTJZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(18)12(16(4)5)13(17)11-9-7-6-8-10-11/h6-10,12-13,17H,1-5H3.
What are the key properties of tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate?
tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(dimethylamino)-3-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 24977280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).