2-(ethylamino)hexanedioic acid

C8H15NO4 — CID 88869975

IUPAC2-(ethylamino)hexanedioic acid
SMILESCCNC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-9-6(8(12)13)4-3-5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyKWCANUXOZAMZSS-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.30
Rot. Bonds7

About 2-(ethylamino)hexanedioic acid

2-(ethylamino)hexanedioic acid (PubChem CID 88869975) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(ethylamino)hexanedioic acid.

Molecular Properties

Compound Name2-(ethylamino)hexanedioic acid
PubChem CID88869975
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-(ethylamino)hexanedioic acid
SMILESCCNC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-2-9-6(8(12)13)4-3-5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyKWCANUXOZAMZSS-UHFFFAOYSA-N
XLogP0.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2S)-2-(6-carboxyhexylamino)decanoic acid
CID 124673847
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-2-(ethylamino)-6-methyl-5-oxoheptanoic acid
CID 167006530
(2R)-6-acetamido-2-(ethylamino)hexanoic acid
CID 89026555
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128
(2R)-2-[3-(ethylamino)propanoylamino]hexanedioic acid
CID 114006779
(2R)-2-(hexan-3-ylcarbamoylamino)hexanedioic acid
CID 107839582
2-(3-hydroxyoctylamino)nonanedioic acid
CID 88722519
(2S)-2-(3-carboxypropanoylamino)hexanedioic acid
CID 134130455

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)hexanedioic acid?
The IUPAC name of 2-(ethylamino)hexanedioic acid (CID 88869975) is 2-(ethylamino)hexanedioic acid.
What is the SMILES notation for 2-(ethylamino)hexanedioic acid?
The canonical SMILES for 2-(ethylamino)hexanedioic acid is CCNC(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-(ethylamino)hexanedioic acid?
The InChIKey is KWCANUXOZAMZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-2-9-6(8(12)13)4-3-5-7(10)11/h6,9H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-(ethylamino)hexanedioic acid?
2-(ethylamino)hexanedioic acid has a molecular weight of 189.21 g/mol, XLogP of 0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)hexanedioic acid is sourced from PubChem (CID 88869975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).