ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate

C13H19NO3 — CID 116947153

IUPACethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
SMILESCCOC(=O)C(N)c1ccc(OCC)c(C)c1
InChIInChI=1S/C13H19NO3/c1-4-16-11-7-6-10(8-9(11)3)12(14)13(15)17-5-2/h6-8,12H,4-5,14H2,1-3H3
InChIKeyOPICYGOFQFTQTP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.96
Rot. Bonds5

About ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate

ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate (PubChem CID 116947153) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
PubChem CID116947153
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
SMILESCCOC(=O)C(N)c1ccc(OCC)c(C)c1
InChIInChI=1S/C13H19NO3/c1-4-16-11-7-6-10(8-9(11)3)12(14)13(15)17-5-2/h6-8,12H,4-5,14H2,1-3H3
InChIKeyOPICYGOFQFTQTP-UHFFFAOYSA-N
XLogP1.96
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-1-(4-ethoxy-3-methylphenyl)propan-2-one
CID 116859676
2-amino-2-(4-ethoxy-3-methylphenyl)-1-pyrrolidin-1-ylethanone
CID 116851317
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
2-[amino-(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanoic acid
CID 116945196
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
ethyl 2-amino-2-(3-bromo-4-methylphenyl)acetate
CID 105401879
3-(4-ethoxy-3-methylphenyl)butanoic acid
CID 82286931
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate?
The IUPAC name of ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate (CID 116947153) is ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate?
The canonical SMILES for ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate is CCOC(=O)C(N)c1ccc(OCC)c(C)c1.
What is the InChIKey of ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate?
The InChIKey is OPICYGOFQFTQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-16-11-7-6-10(8-9(11)3)12(14)13(15)17-5-2/h6-8,12H,4-5,14H2,1-3H3.
What are the key properties of ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate?
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate has a molecular weight of 237.30 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate is sourced from PubChem (CID 116947153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).