2-ethylhexyl 2-amino-5-methoxypentanoate

C14H29NO3 — CID 81086073

IUPAC2-ethylhexyl 2-amino-5-methoxypentanoate
SMILESCCCCC(CC)COC(=O)C(N)CCCOC
InChIInChI=1S/C14H29NO3/c1-4-6-8-12(5-2)11-18-14(16)13(15)9-7-10-17-3/h12-13H,4-11,15H2,1-3H3
InChIKeyDXQNKAJZMBVNKI-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.50
Rot. Bonds11

About 2-ethylhexyl 2-amino-5-methoxypentanoate

2-ethylhexyl 2-amino-5-methoxypentanoate (PubChem CID 81086073) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-ethylhexyl 2-amino-5-methoxypentanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-amino-5-methoxypentanoate
PubChem CID81086073
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name2-ethylhexyl 2-amino-5-methoxypentanoate
SMILESCCCCC(CC)COC(=O)C(N)CCCOC
InChIInChI=1S/C14H29NO3/c1-4-6-8-12(5-2)11-18-14(16)13(15)9-7-10-17-3/h12-13H,4-11,15H2,1-3H3
InChIKeyDXQNKAJZMBVNKI-UHFFFAOYSA-N
XLogP2.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-methylpentyl 2-amino-5-methoxypentanoate
CID 103284131
2-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl butanoate;2-methoxyethanol
CID 174874181
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
1-O,3-O-bis[(2R)-2-ethylhexyl] 5-O-[(2S)-2-ethylhexyl] pentane-1,3,5-tricarboxylate
CID 124824126
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-amino-5-methoxypentanoate?
The IUPAC name of 2-ethylhexyl 2-amino-5-methoxypentanoate (CID 81086073) is 2-ethylhexyl 2-amino-5-methoxypentanoate.
What is the SMILES notation for 2-ethylhexyl 2-amino-5-methoxypentanoate?
The canonical SMILES for 2-ethylhexyl 2-amino-5-methoxypentanoate is CCCCC(CC)COC(=O)C(N)CCCOC.
What is the InChIKey of 2-ethylhexyl 2-amino-5-methoxypentanoate?
The InChIKey is DXQNKAJZMBVNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-6-8-12(5-2)11-18-14(16)13(15)9-7-10-17-3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-ethylhexyl 2-amino-5-methoxypentanoate?
2-ethylhexyl 2-amino-5-methoxypentanoate has a molecular weight of 259.39 g/mol, XLogP of 2.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-amino-5-methoxypentanoate is sourced from PubChem (CID 81086073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).