2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid

C11H22N2O3 — CID 103263175

IUPAC2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
SMILESCCCCC(NCCC(=O)NCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-6-9(11(15)16)13-8-7-10(14)12-4-2/h9,13H,3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJAPPCMOVLJCFGV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds9

About 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid

2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid (PubChem CID 103263175) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
PubChem CID103263175
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
SMILESCCCCC(NCCC(=O)NCC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-6-9(11(15)16)13-8-7-10(14)12-4-2/h9,13H,3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJAPPCMOVLJCFGV-UHFFFAOYSA-N
XLogP0.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-(dodecylamino)hexanoic acid
CID 139637216
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
2-(ethylamino)-5-oxo-5-(propylamino)pentanoic acid
CID 123367492
2-(6-methylheptylamino)hexanoic acid
CID 150739984
2-[(4-ethoxy-4-oxobutyl)amino]hexanoic acid
CID 103252920
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
2-[2-(methanesulfonamido)ethylamino]hexanoic acid
CID 103239014

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid?
The IUPAC name of 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid (CID 103263175) is 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid?
The canonical SMILES for 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid is CCCCC(NCCC(=O)NCC)C(=O)O.
What is the InChIKey of 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid?
The InChIKey is JAPPCMOVLJCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-6-9(11(15)16)13-8-7-10(14)12-4-2/h9,13H,3-8H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid?
2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid is sourced from PubChem (CID 103263175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).