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

C9H17NO4 — CID 103231211

IUPAC2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
SMILESCCCCC(NCC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-5-7(9(12)13)10-6-8(11)14-2/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyLGORSUIQZRPTDJ-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.39
Rot. Bonds7

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

2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid (PubChem CID 103231211) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
PubChem CID103231211
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
SMILESCCCCC(NCC(=O)OC)C(=O)O
InChIInChI=1S/C9H17NO4/c1-3-4-5-7(9(12)13)10-6-8(11)14-2/h7,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyLGORSUIQZRPTDJ-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
CID 103240369
2-[(2-methoxy-2-oxoethyl)amino]butanoic acid
CID 64667124
2-[(2-oxo-2-propoxyethyl)amino]tetradecanoic acid
CID 151028201
2-[[2-(ethylamino)-2-oxoethyl]amino]hexanoic acid
CID 103238421
2-(methoxyamino)hexanoic acid
CID 103254320
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(dodecylamino)hexanoic acid
CID 139637216
(2S)-2-[(2-methoxy-2-oxoethyl)sulfonylamino]hexanoic acid
CID 107145097
2-[(4-ethoxy-4-oxobutyl)amino]hexanoic acid
CID 103252920
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
2-(propylamino)tetradecanoic acid
CID 54527307
2-(pentylamino)octanoic acid
CID 129188286

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid (CID 103231211) is 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid is CCCCC(NCC(=O)OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid?
The InChIKey is LGORSUIQZRPTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-3-4-5-7(9(12)13)10-6-8(11)14-2/h7,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid?
2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid is sourced from PubChem (CID 103231211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).