2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid

C15H31NO5 — CID 104564781

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
SMILESCCCCOCCOCCOCCN(CC(=O)O)C(C)C
InChIInChI=1S/C15H31NO5/c1-4-5-7-19-9-11-21-12-10-20-8-6-16(14(2)3)13-15(17)18/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyQTTGRQHXZDDRCL-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.63
Rot. Bonds15

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid (PubChem CID 104564781) has the molecular formula C15H31NO5 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
PubChem CID104564781
Molecular FormulaC15H31NO5
Molecular Weight305.42 g/mol
Exact Mass305.22
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
SMILESCCCCOCCOCCOCCN(CC(=O)O)C(C)C
InChIInChI=1S/C15H31NO5/c1-4-5-7-19-9-11-21-12-10-20-8-6-16(14(2)3)13-15(17)18/h14H,4-13H2,1-3H3,(H,17,18)
InChIKeyQTTGRQHXZDDRCL-UHFFFAOYSA-N
XLogP1.63
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.63
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

methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetic acid
CID 112590569
2-[(4-butoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043977
3-[3-butoxypropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329308
acetic acid;1-butoxybutane
CID 22256220
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid (CID 104564781) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid is CCCCOCCOCCOCCN(CC(=O)O)C(C)C.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid?
The InChIKey is QTTGRQHXZDDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO5/c1-4-5-7-19-9-11-21-12-10-20-8-6-16(14(2)3)13-15(17)18/h14H,4-13H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid has a molecular weight of 305.42 g/mol, XLogP of 1.63, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 104564781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).