2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid

C15H29NO5 — CID 104564790

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
SMILESCCCCOCCOCCOCCN(CC(=O)O)C1CC1
InChIInChI=1S/C15H29NO5/c1-2-3-7-19-9-11-21-12-10-20-8-6-16(13-15(17)18)14-4-5-14/h14H,2-13H2,1H3,(H,17,18)
InChIKeyWBJYHUZMZSXGTJ-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.39
Rot. Bonds15

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

2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid (PubChem CID 104564790) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
PubChem CID104564790
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
SMILESCCCCOCCOCCOCCN(CC(=O)O)C1CC1
InChIInChI=1S/C15H29NO5/c1-2-3-7-19-9-11-21-12-10-20-8-6-16(13-15(17)18)14-4-5-14/h14H,2-13H2,1H3,(H,17,18)
InChIKeyWBJYHUZMZSXGTJ-UHFFFAOYSA-N
XLogP1.39
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.39
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

ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
CID 62027220
2-[(3-butoxy-2-hydroxypropyl)-cyclopropylamino]acetic acid
CID 107263550
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
3-[2-[cyclopropyl(ethyl)amino]ethoxy]propanoic acid
CID 169177393
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-propan-2-ylamino]acetic acid
CID 104564781
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
3-[cyclopropyl(2-ethoxyethyl)amino]propanoic acid
CID 60838703
2-[(4-ethylcycloheptyl)-(2-methoxyethyl)amino]acetic acid
CID 65087606
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
2-[2-methoxyethyl-(1-methylpiperidin-4-yl)amino]acetic acid
CID 65067210

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid (CID 104564790) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid is CCCCOCCOCCOCCN(CC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid?
The InChIKey is WBJYHUZMZSXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-2-3-7-19-9-11-21-12-10-20-8-6-16(13-15(17)18)14-4-5-14/h14H,2-13H2,1H3,(H,17,18).
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 1.39, 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-cyclopropylamino]acetic acid is sourced from PubChem (CID 104564790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).