ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate

C14H27NO3 — CID 106940160

IUPACethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
SMILESCCOC(=O)C(CC)OCC1(N)CCCCCC1
InChIInChI=1S/C14H27NO3/c1-3-12(13(16)17-4-2)18-11-14(15)9-7-5-6-8-10-14/h12H,3-11,15H2,1-2H3
InChIKeyZWTMHDKCKTVYEV-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.40
Rot. Bonds6

About ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate

ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate (PubChem CID 106940160) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate.

Molecular Properties

Compound Nameethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
PubChem CID106940160
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nameethyl 2-[(1-aminocycloheptyl)methoxy]butanoate
SMILESCCOC(=O)C(CC)OCC1(N)CCCCCC1
InChIInChI=1S/C14H27NO3/c1-3-12(13(16)17-4-2)18-11-14(15)9-7-5-6-8-10-14/h12H,3-11,15H2,1-2H3
InChIKeyZWTMHDKCKTVYEV-UHFFFAOYSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-aminocyclohexyl)methoxy]butanoic acid
CID 106940020
2-[(1-aminocycloheptyl)methoxy]-N-propan-2-ylpropanamide
CID 64551906
1-(pentan-2-yloxymethyl)cyclohexan-1-amine
CID 107891879
2-[(1-aminocycloheptyl)methoxy]-N-pentylpropanamide
CID 64551486
ethyl 2-methoxybutanoate
CID 59767959
2-[(1-aminocyclohexyl)methoxy]-N-(ethylcarbamoyl)propanamide
CID 106938268
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylbutan-2-yl)propanamide
CID 64548742
2-[(1-aminocycloheptyl)methoxy]-N-(2-methylpropyl)propanamide
CID 64551905
2-[(1-aminocycloheptyl)methoxy]-N-cyclopentylpropanamide
CID 64549979
2-[(1-aminocyclohexyl)methoxy]-N-(2-methoxyethyl)propanamide
CID 64572690
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate?
The IUPAC name of ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate (CID 106940160) is ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate.
What is the SMILES notation for ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate?
The canonical SMILES for ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate is CCOC(=O)C(CC)OCC1(N)CCCCCC1.
What is the InChIKey of ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate?
The InChIKey is ZWTMHDKCKTVYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-12(13(16)17-4-2)18-11-14(15)9-7-5-6-8-10-14/h12H,3-11,15H2,1-2H3.
What are the key properties of ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate?
ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate has a molecular weight of 257.37 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-aminocycloheptyl)methoxy]butanoate is sourced from PubChem (CID 106940160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).