tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate

C14H21NO3 — CID 18698419

IUPACtert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
SMILESCOc1cccc(CNCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-15-9-11-6-5-7-12(8-11)17-4/h5-8,15H,9-10H2,1-4H3
InChIKeyJNRRIPWTKKFGQS-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.13
Rot. Bonds5

About tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate

tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate (PubChem CID 18698419) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
PubChem CID18698419
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
SMILESCOc1cccc(CNCC(=O)OC(C)(C)C)c1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-15-9-11-6-5-7-12(8-11)17-4/h5-8,15H,9-10H2,1-4H3
InChIKeyJNRRIPWTKKFGQS-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
tert-butyl 2-[(3-hydroxy-4-methoxyphenyl)methylamino]acetate
CID 79003996
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
methyl 2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methylamino]acetate
CID 59524403
tert-butyl 2-[(3-bromo-4-fluorophenyl)methylamino]acetate
CID 78994243
tert-butyl 2-[[4-(methoxymethyl)phenyl]methylamino]acetate
CID 112731298
2-[(3-methoxyphenyl)methylamino]ethyl 2-methoxyacetate
CID 82533040
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
4-[(3-methoxyphenyl)methylamino]butan-2-one
CID 115235732
tert-butyl 2-[(3-chloro-4-methylphenyl)methylamino]acetate
CID 106817005
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate?
The IUPAC name of tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate (CID 18698419) is tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate.
What is the SMILES notation for tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate?
The canonical SMILES for tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate is COc1cccc(CNCC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate?
The InChIKey is JNRRIPWTKKFGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)10-15-9-11-6-5-7-12(8-11)17-4/h5-8,15H,9-10H2,1-4H3.
What are the key properties of tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate?
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate has a molecular weight of 251.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate is sourced from PubChem (CID 18698419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).