2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid

C14H29NO5 — CID 103179851

IUPAC2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
SMILESCCNC(C)(CCCOCCOCCCOC)C(=O)O
InChIInChI=1S/C14H29NO5/c1-4-15-14(2,13(16)17)7-5-9-19-11-12-20-10-6-8-18-3/h15H,4-12H2,1-3H3,(H,16,17)
InChIKeyRRVRMSNSJIPBGX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.29
Rot. Bonds14

About 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid

2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid (PubChem CID 103179851) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
PubChem CID103179851
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
SMILESCCNC(C)(CCCOCCOCCCOC)C(=O)O
InChIInChI=1S/C14H29NO5/c1-4-15-14(2,13(16)17)7-5-9-19-11-12-20-10-6-8-18-3/h15H,4-12H2,1-3H3,(H,16,17)
InChIKeyRRVRMSNSJIPBGX-UHFFFAOYSA-N
XLogP1.29
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoate
CID 103179847
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-(ethylamino)-6-[2-(2-methoxyethoxy)ethoxy]-2-methylhexanamide
CID 104565452
2-(ethylamino)-2-methyl-6-[2-(2-methylpropoxy)ethoxy]hexanoic acid
CID 106448940
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
6-(2-cyclopropylethoxy)-2-(ethylamino)-2-methylhexanoic acid
CID 106204275
2-(ethylamino)-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpentanenitrile
CID 104564868
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
methyl 2-(ethylamino)-2-methyl-6-(4,4,4-trifluorobutoxy)hexanoate
CID 82783283
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
2-amino-2-ethyl-5-(3-methoxypropoxy)pentanoic acid
CID 106806761

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid?
The IUPAC name of 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid (CID 103179851) is 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid.
What is the SMILES notation for 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid?
The canonical SMILES for 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid is CCNC(C)(CCCOCCOCCCOC)C(=O)O.
What is the InChIKey of 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid?
The InChIKey is RRVRMSNSJIPBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-4-15-14(2,13(16)17)7-5-9-19-11-12-20-10-6-8-18-3/h15H,4-12H2,1-3H3,(H,16,17).
What are the key properties of 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid?
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid has a molecular weight of 291.39 g/mol, XLogP of 1.29, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid is sourced from PubChem (CID 103179851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).