ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate

C13H25NO3 — CID 64688546

IUPACethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(OCC)C1(C)C
InChIInChI=1S/C13H25NO3/c1-6-16-11-8-10(13(11,4)5)14-9(3)12(15)17-7-2/h9-11,14H,6-8H2,1-5H3
InChIKeyQYSVJCAKQXLCCE-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.73
Rot. Bonds6

About ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate

ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate (PubChem CID 64688546) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
PubChem CID64688546
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CC(OCC)C1(C)C
InChIInChI=1S/C13H25NO3/c1-6-16-11-8-10(13(11,4)5)14-9(3)12(15)17-7-2/h9-11,14H,6-8H2,1-5H3
InChIKeyQYSVJCAKQXLCCE-UHFFFAOYSA-N
XLogP1.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propanoate
CID 65167647
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methylpropanamide
CID 64851351
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N,N-diethylpropanamide
CID 64688946
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-(2-methylpropyl)propanamide
CID 115641518
N-cyclopropyl-2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanamide
CID 112696347
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methylpentanoic acid
CID 64853101
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260
4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114119108
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
3-ethoxy-N-(1-ethylsulfanylpropan-2-yl)-2,2-dimethylcyclobutan-1-amine
CID 115906035
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 114119196

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate (CID 64688546) is ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate is CCOC(=O)C(C)NC1CC(OCC)C1(C)C.
What is the InChIKey of ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate?
The InChIKey is QYSVJCAKQXLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-16-11-8-10(13(11,4)5)14-9(3)12(15)17-7-2/h9-11,14H,6-8H2,1-5H3.
What are the key properties of ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate?
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate has a molecular weight of 243.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate is sourced from PubChem (CID 64688546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).