[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate

C10H20N2O3 — CID 87104795

IUPAC[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate
SMILESCCNC(=O)CCC(OC(C)=O)C(C)N
InChIInChI=1S/C10H20N2O3/c1-4-12-10(14)6-5-9(7(2)11)15-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyXUYGEFJPBOBOJP-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.18
Rot. Bonds6

About [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate

[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate (PubChem CID 87104795) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate.

Molecular Properties

Compound Name[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate
PubChem CID87104795
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate
SMILESCCNC(=O)CCC(OC(C)=O)C(C)N
InChIInChI=1S/C10H20N2O3/c1-4-12-10(14)6-5-9(7(2)11)15-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,14)
InChIKeyXUYGEFJPBOBOJP-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Analyze [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-acetyloxy-7-(ethylamino)-2,7-dioxoheptan-3-yl]azanium
CID 123450868
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-aminododec-8-en-3-yl acetate
CID 163107769
[(2S)-2-amino-5-(ethylamino)-5-oxopentanoyl]-oxophosphanium
CID 175846430
2-acetamido-5-(ethylamino)-5-oxopentanoic acid
CID 158833796
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 145046697
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
CID 174824189
1-(ethylamino)ethyl acetate;hydrochloride
CID 174667406
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane
CID 145046696
N-ethyl-3-[methyl(propan-2-yl)amino]propanamide
CID 163565959
(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide
CID 104909009

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate?
The IUPAC name of [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate (CID 87104795) is [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate.
What is the SMILES notation for [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate?
The canonical SMILES for [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate is CCNC(=O)CCC(OC(C)=O)C(C)N.
What is the InChIKey of [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate?
The InChIKey is XUYGEFJPBOBOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-12-10(14)6-5-9(7(2)11)15-8(3)13/h7,9H,4-6,11H2,1-3H3,(H,12,14).
What are the key properties of [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate?
[2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate has a molecular weight of 216.28 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(ethylamino)-6-oxohexan-3-yl] acetate is sourced from PubChem (CID 87104795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).