2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid

C10H20N2O3 — CID 103238421

IUPAC2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
SMILESCCCCC(NCC(=O)NCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-6-8(10(14)15)12-7-9(13)11-4-2/h8,12H,3-7H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyMSBCBCZHIMQNAH-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.36
Rot. Bonds8

About 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid

2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid (PubChem CID 103238421) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
PubChem CID103238421
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
SMILESCCCCC(NCC(=O)NCC)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-3-5-6-8(10(14)15)12-7-9(13)11-4-2/h8,12H,3-7H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyMSBCBCZHIMQNAH-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
CID 103263175
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(dodecylamino)hexanoic acid
CID 139637216
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]pentanoic acid
CID 43631920
(2S)-2-(3-oxobutanoylamino)hexanoic acid
CID 119089590
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid (CID 103238421) is 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid is CCCCC(NCC(=O)NCC)C(=O)O.
What is the InChIKey of 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid?
The InChIKey is MSBCBCZHIMQNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-3-5-6-8(10(14)15)12-7-9(13)11-4-2/h8,12H,3-7H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid?
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid is sourced from PubChem (CID 103238421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).