tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate

C15H23NO3 — CID 112731298

IUPACtert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
SMILESCOCc1ccc(CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)10-16-9-12-5-7-13(8-6-12)11-18-4/h5-8,16H,9-11H2,1-4H3
InChIKeyGYNGEKGSBJBAAP-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.26
Rot. Bonds6

About tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate

tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate (PubChem CID 112731298) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
PubChem CID112731298
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
SMILESCOCc1ccc(CNCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)10-16-9-12-5-7-13(8-6-12)11-18-4/h5-8,16H,9-11H2,1-4H3
InChIKeyGYNGEKGSBJBAAP-UHFFFAOYSA-N
XLogP2.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
tert-butyl 2-[(4-butylphenyl)methylamino]acetate
CID 68600111
tert-butyl 2-[[4-(methylcarbamoyl)phenyl]methylamino]acetate
CID 112731305
tert-butyl 2-[[4-(trifluoromethoxy)phenyl]methylamino]acetate
CID 112725551
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
tert-butyl 2-[(3-hydroxy-4-methoxyphenyl)methylamino]acetate
CID 79003996
tert-butyl 2-[(4-isothiocyanatophenyl)methylamino]acetate
CID 139977488
tert-butyl 2-[(6-methyl-3-pyridinyl)methylamino]acetate
CID 55137911
tert-butyl 2-[[4-(2-methylsulfonyloxyethyl)phenyl]methylamino]acetate
CID 87200033
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate?
The IUPAC name of tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate (CID 112731298) is tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate?
The canonical SMILES for tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate is COCc1ccc(CNCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate?
The InChIKey is GYNGEKGSBJBAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(17)10-16-9-12-5-7-13(8-6-12)11-18-4/h5-8,16H,9-11H2,1-4H3.
What are the key properties of tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate?
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate is sourced from PubChem (CID 112731298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).