tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate

C17H19NO4 — CID 87926681

IUPACtert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccc(OC=O)c2ccccc12
InChIInChI=1S/C17H19NO4/c1-17(2,3)22-16(20)15(18)13-8-9-14(21-10-19)12-7-5-4-6-11(12)13/h4-10,15H,18H2,1-3H3
InChIKeyKEPHBVKAPGWTJG-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.72
Rot. Bonds4

About tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate

tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate (PubChem CID 87926681) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate
PubChem CID87926681
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Nametert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)c1ccc(OC=O)c2ccccc12
InChIInChI=1S/C17H19NO4/c1-17(2,3)22-16(20)15(18)13-8-9-14(21-10-19)12-7-5-4-6-11(12)13/h4-10,15H,18H2,1-3H3
InChIKeyKEPHBVKAPGWTJG-UHFFFAOYSA-N
XLogP2.72
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
CID 67299553
ditert-butyl 2-(2-methylphenyl)propanedioate
CID 11120338
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
ethyl 3-[2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]-3-oxopropanoate
CID 174446846
[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-fluorophenyl]boronic acid
CID 67513443
tert-butyl (2R)-2-hydroxy-2-naphthalen-1-ylacetate
CID 174374928
[4-[[1H-imidazol-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]naphthalen-1-yl] formate
CID 87926639
(2R)-2-[amino(naphthalen-1-yl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57350241
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate?
The IUPAC name of tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate (CID 87926681) is tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate is CC(C)(C)OC(=O)C(N)c1ccc(OC=O)c2ccccc12.
What is the InChIKey of tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate?
The InChIKey is KEPHBVKAPGWTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-17(2,3)22-16(20)15(18)13-8-9-14(21-10-19)12-7-5-4-6-11(12)13/h4-10,15H,18H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate?
tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate has a molecular weight of 301.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(4-formyloxynaphthalen-1-yl)acetate is sourced from PubChem (CID 87926681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).