2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate

C14H29NO4 — CID 103178676

IUPAC2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
SMILESCOCCCOCCOC(=O)C(C)CCCC(C)N
InChIInChI=1S/C14H29NO4/c1-12(6-4-7-13(2)15)14(16)19-11-10-18-9-5-8-17-3/h12-13H,4-11,15H2,1-3H3
InChIKeyNDGKZXDKXOVZPD-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.74
Rot. Bonds12

About 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate

2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate (PubChem CID 103178676) has the molecular formula C14H29NO4 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate.

Molecular Properties

Compound Name2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
PubChem CID103178676
Molecular FormulaC14H29NO4
Molecular Weight275.39 g/mol
Exact Mass275.21
IUPAC Name2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
SMILESCOCCCOCCOC(=O)C(C)CCCC(C)N
InChIInChI=1S/C14H29NO4/c1-12(6-4-7-13(2)15)14(16)19-11-10-18-9-5-8-17-3/h12-13H,4-11,15H2,1-3H3
InChIKeyNDGKZXDKXOVZPD-UHFFFAOYSA-N
XLogP1.74
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
2-(3-methoxypropoxy)ethyl 2-sulfanylpropanoate
CID 107019121
2-[(2-methylpropan-2-yl)oxy]ethyl 6-amino-2-methylheptanoate
CID 112588229
3-(2-methoxyethoxy)propyl 3-amino-2-methylbutanoate
CID 103403540
2-[2-(2,7-dimethyl-8-oxononanoyl)oxyethoxy]ethyl 2,7-dimethyl-8-oxononanoate
CID 118372687
2-(3-methoxypropoxy)ethyl 2-(methylamino)propanoate
CID 103178278
2-(3-methoxypropoxy)ethyl (2S)-2-amino-3,3-dimethylbutanoate
CID 103178228
3-(2-methoxyethoxy)propyl (2R)-2-amino-4-hydroxybutanoate
CID 107825441
6-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-methylheptanamide
CID 65292086
(2S)-5-methoxypentan-2-amine
CID 93315322
4-[2-(3-methoxypropoxy)ethoxy]-2-(propan-2-ylamino)butanamide
CID 103180074
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate?
The IUPAC name of 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate (CID 103178676) is 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate.
What is the SMILES notation for 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate?
The canonical SMILES for 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate is COCCCOCCOC(=O)C(C)CCCC(C)N.
What is the InChIKey of 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate?
The InChIKey is NDGKZXDKXOVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO4/c1-12(6-4-7-13(2)15)14(16)19-11-10-18-9-5-8-17-3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate?
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate has a molecular weight of 275.39 g/mol, XLogP of 1.74, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate is sourced from PubChem (CID 103178676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).