[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid

C12H23NO6 — CID 138694811

IUPAC[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(COCCOCCOCCO)C1
InChIInChI=1S/C12H23NO6/c14-1-2-17-3-4-18-5-6-19-9-10-7-11(8-10)13-12(15)16/h10-11,13-14H,1-9H2,(H,15,16)
InChIKeyHNFUELUHUNGRQY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.07
Rot. Bonds11

About [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid

[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid (PubChem CID 138694811) has the molecular formula C12H23NO6 and a molecular weight of 277.32 g/mol. Its IUPAC name is [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
PubChem CID138694811
Molecular FormulaC12H23NO6
Molecular Weight277.32 g/mol
Exact Mass277.15
IUPAC Name[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(COCCOCCOCCO)C1
InChIInChI=1S/C12H23NO6/c14-1-2-17-3-4-18-5-6-19-9-10-7-11(8-10)13-12(15)16/h10-11,13-14H,1-9H2,(H,15,16)
InChIKeyHNFUELUHUNGRQY-UHFFFAOYSA-N
XLogP0.07
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl]carbamic acid
CID 138694104
[(1R,3R)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclopentyl]carbamic acid
CID 138694512
[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate
CID 138695751
[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
CID 138695815
(3-ethylcyclobutyl)carbamic acid
CID 89387578
2-[2-(cyclopentylmethoxy)ethoxy]ethanol
CID 59001866
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
[(1R,3R)-3-(hydroxymethyl)cyclopentyl]carbamic acid
CID 174154998
(3S)-3-[2-(2-hydroxyethoxy)ethoxymethyl]piperidine-1-carboxylic acid
CID 155071696
[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamic acid
CID 166709107
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472

Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid?
The IUPAC name of [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid (CID 138694811) is [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid is O=C(O)NC1CC(COCCOCCOCCO)C1.
What is the InChIKey of [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid?
The InChIKey is HNFUELUHUNGRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO6/c14-1-2-17-3-4-18-5-6-19-9-10-7-11(8-10)13-12(15)16/h10-11,13-14H,1-9H2,(H,15,16).
What are the key properties of [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid?
[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid has a molecular weight of 277.32 g/mol, XLogP of 0.07, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 138694811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).