tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate

C19H24N2O3 — CID 78058335

IUPACtert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate
SMILESCC(C)(C)OC(=O)CC(N)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)10-17(20)15-9-16(12-21-11-15)23-13-14-7-5-4-6-8-14/h4-9,11-12,17H,10,13,20H2,1-3H3
InChIKeyYQNFBAAMVQNXNL-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.39
Rot. Bonds6

About tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate

tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate (PubChem CID 78058335) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate
PubChem CID78058335
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate
SMILESCC(C)(C)OC(=O)CC(N)c1cncc(OCc2ccccc2)c1
InChIInChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)10-17(20)15-9-16(12-21-11-15)23-13-14-7-5-4-6-8-14/h4-9,11-12,17H,10,13,20H2,1-3H3
InChIKeyYQNFBAAMVQNXNL-UHFFFAOYSA-N
XLogP3.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-amino-3-(5-ethoxy-3-pyridinyl)propanoate
CID 20674687
tert-butyl (E)-3-amino-3-(5-phenylmethoxy-3-pyridinyl)prop-2-enoate
CID 71259022
4-O-tert-butyl 1-O-methyl 2-(4-phenylmethoxyphenyl)butanedioate
CID 131723198
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
benzyl (3R)-3-amino-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoate;ethane
CID 153352746
tert-butyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
CID 131888301
tert-butyl 3-amino-3-(3-phenylphenyl)propanoate
CID 90850657
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
3-pentan-2-yl-5-phenylmethoxypyridine
CID 166644961
tert-butyl 3-amino-3-[3-[(2-methylphenyl)methyl]phenyl]propanoate
CID 135367498
tert-butyl 2-(azetidin-2-yl)-2-hydroxyacetate;tert-butyl 2-[(2S)-azetidin-2-yl]-2-[(5-phenylmethoxy-3-pyridinyl)oxy]acetate
CID 67592458
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate?
The IUPAC name of tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate (CID 78058335) is tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate.
What is the SMILES notation for tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate?
The canonical SMILES for tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate is CC(C)(C)OC(=O)CC(N)c1cncc(OCc2ccccc2)c1.
What is the InChIKey of tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate?
The InChIKey is YQNFBAAMVQNXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)24-18(22)10-17(20)15-9-16(12-21-11-15)23-13-14-7-5-4-6-8-14/h4-9,11-12,17H,10,13,20H2,1-3H3.
What are the key properties of tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate?
tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate has a molecular weight of 328.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-3-(5-phenylmethoxy-3-pyridinyl)propanoate is sourced from PubChem (CID 78058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).