methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate

C14H21NO3 — CID 60873533

IUPACmethyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
SMILESCCOc1cccc(C(NC(C)C)C(=O)OC)c1
InChIInChI=1S/C14H21NO3/c1-5-18-12-8-6-7-11(9-12)13(14(16)17-4)15-10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeyAPOBFUGIJCYKKL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds6

About methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate

methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate (PubChem CID 60873533) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
PubChem CID60873533
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate
SMILESCCOc1cccc(C(NC(C)C)C(=O)OC)c1
InChIInChI=1S/C14H21NO3/c1-5-18-12-8-6-7-11(9-12)13(14(16)17-4)15-10(2)3/h6-10,13,15H,5H2,1-4H3
InChIKeyAPOBFUGIJCYKKL-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-ethoxyphenyl)-2-(methylamino)acetate
CID 60873905
methyl 2-(3-methoxyphenyl)-2-(propan-2-ylamino)acetate
CID 60786504
methyl 2-amino-2-(3-ethoxyphenyl)acetate
CID 60874468
methyl (2S)-2-amino-2-(3-ethoxyphenyl)acetate;hydrochloride
CID 171205678
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
methyl 2-(3-ethoxyphenyl)-3-oxobutanoate
CID 112512277
ethyl 2-(3-ethoxyphenyl)-2-(propylamino)acetate
CID 60874093
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
ethyl 2-[3-(difluoromethyl)phenyl]-2-(propan-2-ylamino)acetate
CID 113328818
3-(3-ethoxyphenyl)-2,3-dihydroxypropanamide
CID 171868100
ethyl 3-(3-ethoxyphenoxy)-2-(propan-2-ylamino)propanoate
CID 62335987
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate (CID 60873533) is methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate is CCOc1cccc(C(NC(C)C)C(=O)OC)c1.
What is the InChIKey of methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate?
The InChIKey is APOBFUGIJCYKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-12-8-6-7-11(9-12)13(14(16)17-4)15-10(2)3/h6-10,13,15H,5H2,1-4H3.
What are the key properties of methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate?
methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethoxyphenyl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 60873533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).