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

C10H19NO4 — CID 103240369

IUPAC2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
SMILESCCCCC(NCCC(=O)OC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-5-8(10(13)14)11-7-6-9(12)15-2/h8,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLTGCKHZOVPNXCD-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds8

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

2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid (PubChem CID 103240369) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
PubChem CID103240369
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid
SMILESCCCCC(NCCC(=O)OC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-5-8(10(13)14)11-7-6-9(12)15-2/h8,11H,3-7H2,1-2H3,(H,13,14)
InChIKeyLTGCKHZOVPNXCD-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-2-oxoethyl)amino]hexanoic acid
CID 103231211
2-[(3-methoxy-3-oxopropyl)amino]pentanedioic acid
CID 123728829
2-[[3-(ethylamino)-3-oxopropyl]amino]hexanoic acid
CID 103263175
2-[(4-ethoxy-4-oxobutyl)amino]hexanoic acid
CID 103252920
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
(2S)-6-amino-2-[(3-ethoxy-3-oxopropyl)amino]hexanoic acid
CID 121395511
2-[(3-methoxy-3-oxopropyl)amino]-4-oxobutanoic acid
CID 87310434
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
methyl octanoate;2-methyloctanoic acid
CID 160970117

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid?
The IUPAC name of 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid (CID 103240369) is 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid?
The canonical SMILES for 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid is CCCCC(NCCC(=O)OC)C(=O)O.
What is the InChIKey of 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid?
The InChIKey is LTGCKHZOVPNXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-4-5-8(10(13)14)11-7-6-9(12)15-2/h8,11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid?
2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-oxopropyl)amino]hexanoic acid is sourced from PubChem (CID 103240369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).