ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate

C15H23NO3 — CID 10934376

IUPACethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate
SMILESCCOC(=O)C(C)(C)C(N)Cc1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-19-14(17)15(2,3)13(16)10-11-7-6-8-12(9-11)18-4/h6-9,13H,5,10,16H2,1-4H3
InChIKeyBUKOXOOECMFPCA-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.15
Rot. Bonds6

About ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate

ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate (PubChem CID 10934376) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate
PubChem CID10934376
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate
SMILESCCOC(=O)C(C)(C)C(N)Cc1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-19-14(17)15(2,3)13(16)10-11-7-6-8-12(9-11)18-4/h6-9,13H,5,10,16H2,1-4H3
InChIKeyBUKOXOOECMFPCA-UHFFFAOYSA-N
XLogP2.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 116726216
methyl 3-amino-2,2-dimethyl-4-(3-methylphenyl)butanoate
CID 54568880
ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
CID 25418419
3-ethyl-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79057103
ethyl 6,6,6-trifluoro-3-[(3-methoxyphenyl)methyl]hexanoate
CID 68537268
2-chloro-1-(3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 82184938
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
ethyl 2-(3-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 68832027
(3-methoxyphenyl)methyl 2-amino-2-methylbutanoate
CID 79798508
ethyl 3-(3-methoxyphenyl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 66582630
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate?
The IUPAC name of ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate (CID 10934376) is ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate.
What is the SMILES notation for ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate?
The canonical SMILES for ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate is CCOC(=O)C(C)(C)C(N)Cc1cccc(OC)c1.
What is the InChIKey of ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate?
The InChIKey is BUKOXOOECMFPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-14(17)15(2,3)13(16)10-11-7-6-8-12(9-11)18-4/h6-9,13H,5,10,16H2,1-4H3.
What are the key properties of ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate?
ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate has a molecular weight of 265.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(3-methoxyphenyl)-2,2-dimethylbutanoate is sourced from PubChem (CID 10934376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).