[3-(2-hydroxyethyl)cyclobutyl] carbamate

C7H13NO3 — CID 175068010

IUPAC[3-(2-hydroxyethyl)cyclobutyl] carbamate
SMILESNC(=O)OC1CC(CCO)C1
InChIInChI=1S/C7H13NO3/c8-7(10)11-6-3-5(4-6)1-2-9/h5-6,9H,1-4H2,(H2,8,10)
InChIKeyPKGLECAZEINHGE-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.24
Rot. Bonds3

About [3-(2-hydroxyethyl)cyclobutyl] carbamate

[3-(2-hydroxyethyl)cyclobutyl] carbamate (PubChem CID 175068010) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)cyclobutyl] carbamate.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)cyclobutyl] carbamate
PubChem CID175068010
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name[3-(2-hydroxyethyl)cyclobutyl] carbamate
SMILESNC(=O)OC1CC(CCO)C1
InChIInChI=1S/C7H13NO3/c8-7(10)11-6-3-5(4-6)1-2-9/h5-6,9H,1-4H2,(H2,8,10)
InChIKeyPKGLECAZEINHGE-UHFFFAOYSA-N
XLogP0.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate
CID 138695751
[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate
CID 175169048
(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
(3-iodocyclobutyl) carbamate
CID 175447577
[(3S)-3-aminocyclopentyl] carbamate
CID 175196107
[(1R,3R)-3-aminocyclopentyl] carbamate
CID 154024517
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
CID 175218198
(3-ethynylcyclobutyl) carbamate
CID 142547737
[(1S,3S)-3-carbamoylcyclohexyl] carbamate
CID 69109652
(4-aminocyclohexyl) carbamate;hydrochloride
CID 174943880
(3-fluorocyclohexyl) carbamate
CID 175956414
ethyl 3-(2-hydroxyethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 19748293

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)cyclobutyl] carbamate?
The IUPAC name of [3-(2-hydroxyethyl)cyclobutyl] carbamate (CID 175068010) is [3-(2-hydroxyethyl)cyclobutyl] carbamate.
What is the SMILES notation for [3-(2-hydroxyethyl)cyclobutyl] carbamate?
The canonical SMILES for [3-(2-hydroxyethyl)cyclobutyl] carbamate is NC(=O)OC1CC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)cyclobutyl] carbamate?
The InChIKey is PKGLECAZEINHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c8-7(10)11-6-3-5(4-6)1-2-9/h5-6,9H,1-4H2,(H2,8,10).
What are the key properties of [3-(2-hydroxyethyl)cyclobutyl] carbamate?
[3-(2-hydroxyethyl)cyclobutyl] carbamate has a molecular weight of 159.18 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)cyclobutyl] carbamate is sourced from PubChem (CID 175068010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).