ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate

C14H21NO3 — CID 62534926

IUPACethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(COC)NCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-18-13(16)14(2,11-17-3)15-10-12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyIRGKFZAREOFWGX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.74
Rot. Bonds7

About ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate

ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate (PubChem CID 62534926) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
PubChem CID62534926
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
SMILESCCOC(=O)C(C)(COC)NCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-18-13(16)14(2,11-17-3)15-10-12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
InChIKeyIRGKFZAREOFWGX-UHFFFAOYSA-N
XLogP1.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
ethyl 3-methoxy-2-methyl-2-(prop-2-ynylamino)propanoate
CID 62535315
ethyl 2-[(2-hydroxyphenyl)methylamino]-2-methyl-3-phenylselanylpropanoate
CID 101354301
3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
2-(benzylamino)-2-methylheptanoic acid
CID 80557654
ethyl 2-(benzylamino)-3,3,3-trifluoro-2-(propanoylamino)propanoate
CID 2817481
ethyl 2-[2-(benzylamino)phenoxy]-2-methylpropanoate
CID 70676553
ethyl (2R)-2-[(3-ethoxy-3-oxopropanoyl)amino]-2-methyl-3-phenylpropanoate
CID 102009919
ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856
benzene;ethyl N-benzylcarbamate
CID 67715166
N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 71604916

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate?
The IUPAC name of ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate (CID 62534926) is ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate?
The canonical SMILES for ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate is CCOC(=O)C(C)(COC)NCc1ccccc1.
What is the InChIKey of ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate?
The InChIKey is IRGKFZAREOFWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13(16)14(2,11-17-3)15-10-12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate?
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate has a molecular weight of 251.33 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 62534926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).