ethyl 2-(5-aminohexanoylamino)acetate

C10H20N2O3 — CID 82852077

IUPACethyl 2-(5-aminohexanoylamino)acetate
SMILESCCOC(=O)CNC(=O)CCCC(C)N
InChIInChI=1S/C10H20N2O3/c1-3-15-10(14)7-12-9(13)6-4-5-8(2)11/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyIMKGZUAMEIQTMG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds7

About ethyl 2-(5-aminohexanoylamino)acetate

ethyl 2-(5-aminohexanoylamino)acetate (PubChem CID 82852077) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-(5-aminohexanoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-aminohexanoylamino)acetate
PubChem CID82852077
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 2-(5-aminohexanoylamino)acetate
SMILESCCOC(=O)CNC(=O)CCCC(C)N
InChIInChI=1S/C10H20N2O3/c1-3-15-10(14)7-12-9(13)6-4-5-8(2)11/h8H,3-7,11H2,1-2H3,(H,12,13)
InChIKeyIMKGZUAMEIQTMG-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(pentanoylamino)acetate
CID 4279931
ethyl 2-(5-aminohexanoylamino)propanoate
CID 82851561
5-amino-N-[2-(cyclopropylamino)-2-oxoethyl]hexanamide
CID 82848963
5-amino-N-(3-aminopropyl)hexanamide
CID 82851276
5-amino-N-(3-ethylpentan-3-yl)hexanamide
CID 82852348
3-(5-aminohexanoylamino)propanoic acid
CID 82851454
5-amino-N-(3-hydroxybutyl)hexanamide
CID 82852052
5-amino-N-(3,3,3-trifluoropropyl)hexanamide
CID 82851486
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
5-amino-N-(2-ethylhexyl)hexanamide
CID 82851927
5-amino-N-pentan-3-ylhexanamide
CID 82848944
5-amino-N-(5-hydroxypentyl)hexanamide
CID 107317733

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-aminohexanoylamino)acetate?
The IUPAC name of ethyl 2-(5-aminohexanoylamino)acetate (CID 82852077) is ethyl 2-(5-aminohexanoylamino)acetate.
What is the SMILES notation for ethyl 2-(5-aminohexanoylamino)acetate?
The canonical SMILES for ethyl 2-(5-aminohexanoylamino)acetate is CCOC(=O)CNC(=O)CCCC(C)N.
What is the InChIKey of ethyl 2-(5-aminohexanoylamino)acetate?
The InChIKey is IMKGZUAMEIQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-15-10(14)7-12-9(13)6-4-5-8(2)11/h8H,3-7,11H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-(5-aminohexanoylamino)acetate?
ethyl 2-(5-aminohexanoylamino)acetate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-aminohexanoylamino)acetate is sourced from PubChem (CID 82852077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).