methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate

C14H29NO5 — CID 104561977

IUPACmethyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
SMILESCCCCOCCOCCOCCNC(C)C(=O)OC
InChIInChI=1S/C14H29NO5/c1-4-5-7-18-9-11-20-12-10-19-8-6-15-13(2)14(16)17-3/h13,15H,4-12H2,1-3H3
InChIKeyNUVQESSLKCRHBM-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds14

About methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate

methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate (PubChem CID 104561977) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
PubChem CID104561977
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Namemethyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
SMILESCCCCOCCOCCOCCNC(C)C(=O)OC
InChIInChI=1S/C14H29NO5/c1-4-5-7-18-9-11-20-12-10-19-8-6-15-13(2)14(16)17-3/h13,15H,4-12H2,1-3H3
InChIKeyNUVQESSLKCRHBM-UHFFFAOYSA-N
XLogP0.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
methyl 2-(octylamino)propanoate
CID 60780709
methyl 2-(tetradecylamino)propanoate
CID 174995791
N-[2-(2-butoxyethoxy)ethyl]-3-methylbutan-2-amine
CID 62598326
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
2-butoxyethyl 2-(methylamino)propanoate
CID 62638365
methyl (2R)-2-(2-butoxyethoxy)propanoate
CID 103337806
2-(2-butoxyethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 61170101
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
methyl 2-bromo-4-butoxybutanoate
CID 21468873
2-(2-butoxyethylamino)butanoic acid
CID 64667576
2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]ethoxy]acetamide
CID 106237751

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate?
The IUPAC name of methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate (CID 104561977) is methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate.
What is the SMILES notation for methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate?
The canonical SMILES for methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate is CCCCOCCOCCOCCNC(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate?
The InChIKey is NUVQESSLKCRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-4-5-7-18-9-11-20-12-10-19-8-6-15-13(2)14(16)17-3/h13,15H,4-12H2,1-3H3.
What are the key properties of methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate?
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate has a molecular weight of 291.39 g/mol, XLogP of 0.99, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate is sourced from PubChem (CID 104561977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).