ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate

C16H23NO4 — CID 3914425

IUPACethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate
SMILESCCOC(=O)C(N)(c1cc(OC)c(OC)cc1C)C1CC1
InChIInChI=1S/C16H23NO4/c1-5-21-15(18)16(17,11-6-7-11)12-9-14(20-4)13(19-3)8-10(12)2/h8-9,11H,5-7,17H2,1-4H3
InChIKeyFJHNVMVYEDFZII-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.14
Rot. Bonds6

About ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate

ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate (PubChem CID 3914425) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate
PubChem CID3914425
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate
SMILESCCOC(=O)C(N)(c1cc(OC)c(OC)cc1C)C1CC1
InChIInChI=1S/C16H23NO4/c1-5-21-15(18)16(17,11-6-7-11)12-9-14(20-4)13(19-3)8-10(12)2/h8-9,11H,5-7,17H2,1-4H3
InChIKeyFJHNVMVYEDFZII-UHFFFAOYSA-N
XLogP2.14
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[(1R)-1-amino-1-carboxy-3-(3,4-dimethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 44348715
Methyl 3-methoxy-O,alpha-dimethyltyrosinatato
CID 88218
3-Amino-3-(3-ethoxy-4-methoxyphenyl)butan-2-one;2,2,2-trifluoroacetic acid
CID 68470844
[3-Amino-3-(3-ethoxy-4-methoxyphenyl)-2-oxobutyl] 2,2,2-trifluoroacetate
CID 89617331
Ethyl 2-amino-3-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]-2-methylpropanoate
CID 90345464
Ethyl 2-amino-2-[2-cyclopropyl-5-(2-fluoroethoxy)phenyl]acetate
CID 90345518
Methyl 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoate
CID 13018898
Ethyl 2-amino-5,6-dimethoxy-2-indanecarboxylate
CID 24977741
Diethyl 2-amino-2-[(3,4-dimethoxyphenyl)methyl]propanedioate
CID 101481370
tert-butyl (2S,3S)-2-amino-3-(2-methoxyphenyl)-2-(4-methoxyphenyl)pent-4-enoate
CID 132574105
tert-butyl (2S)-2-amino-2-(3-methoxyphenyl)propanoate
CID 134951656
tert-butyl (2S,3S)-2-amino-3-(2-methoxyphenyl)-2-(3-methoxyphenyl)pent-4-enoate
CID 154715494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate?
The IUPAC name of ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate (CID 3914425) is ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate?
The canonical SMILES for ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate is CCOC(=O)C(N)(c1cc(OC)c(OC)cc1C)C1CC1.
What is the InChIKey of ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate?
The InChIKey is FJHNVMVYEDFZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-21-15(18)16(17,11-6-7-11)12-9-14(20-4)13(19-3)8-10(12)2/h8-9,11H,5-7,17H2,1-4H3.
What are the key properties of ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate?
ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclopropyl-2-(4,5-dimethoxy-2-methylphenyl)acetate is sourced from PubChem (CID 3914425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).