diethyl 2-(1-aminoethyl)pentanedioate

C11H21NO4 — CID 166437194

IUPACdiethyl 2-(1-aminoethyl)pentanedioate
SMILESCCOC(=O)CCC(C(=O)OCC)C(C)N
InChIInChI=1S/C11H21NO4/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h8-9H,4-7,12H2,1-3H3
InChIKeyFNTAGPVLSFMCPV-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.86
Rot. Bonds7

About diethyl 2-(1-aminoethyl)pentanedioate

diethyl 2-(1-aminoethyl)pentanedioate (PubChem CID 166437194) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is diethyl 2-(1-aminoethyl)pentanedioate.

Molecular Properties

Compound Namediethyl 2-(1-aminoethyl)pentanedioate
PubChem CID166437194
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namediethyl 2-(1-aminoethyl)pentanedioate
SMILESCCOC(=O)CCC(C(=O)OCC)C(C)N
InChIInChI=1S/C11H21NO4/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h8-9H,4-7,12H2,1-3H3
InChIKeyFNTAGPVLSFMCPV-UHFFFAOYSA-N
XLogP0.86
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl (2S)-2-methylpentanedioate
CID 89120789
ethyl 3-amino-2-ethylbutanoate
CID 123616344
ethyl 5-amino-4-methyloctanoate
CID 174963331
diethyl (4R,5S)-4,5-diaminooctanedioate;dihydrochloride
CID 23545214
4-amino-7-ethoxy-7-oxoheptanoic acid
CID 87355046
acetylene;diethyl 2-aminopentanedioate;methane
CID 174943147
ethyl 4,5-dimethylnonanoate
CID 91431397
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
ethyl 4-amino-5-fluoropentanoate
CID 13477556
ethyl (4S)-4-methylnonanoate
CID 92950939
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(1-aminoethyl)pentanedioate?
The IUPAC name of diethyl 2-(1-aminoethyl)pentanedioate (CID 166437194) is diethyl 2-(1-aminoethyl)pentanedioate.
What is the SMILES notation for diethyl 2-(1-aminoethyl)pentanedioate?
The canonical SMILES for diethyl 2-(1-aminoethyl)pentanedioate is CCOC(=O)CCC(C(=O)OCC)C(C)N.
What is the InChIKey of diethyl 2-(1-aminoethyl)pentanedioate?
The InChIKey is FNTAGPVLSFMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-15-10(13)7-6-9(8(3)12)11(14)16-5-2/h8-9H,4-7,12H2,1-3H3.
What are the key properties of diethyl 2-(1-aminoethyl)pentanedioate?
diethyl 2-(1-aminoethyl)pentanedioate has a molecular weight of 231.29 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(1-aminoethyl)pentanedioate is sourced from PubChem (CID 166437194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).