(3-hydroxycyclobutyl) carbamate;hydrochloride

C5H10ClNO3 — CID 175125432

IUPAC(3-hydroxycyclobutyl) carbamate;hydrochloride
SMILESCl.NC(=O)OC1CC(O)C1
InChIInChI=1S/C5H9NO3.ClH/c6-5(8)9-4-1-3(7)2-4;/h3-4,7H,1-2H2,(H2,6,8);1H
InChIKeyCQNCNCFNFSCXEF-UHFFFAOYSA-N
MW167.59 g/mol
LogP0.03
Rot. Bonds1

About (3-hydroxycyclobutyl) carbamate;hydrochloride

(3-hydroxycyclobutyl) carbamate;hydrochloride (PubChem CID 175125432) has the molecular formula C5H10ClNO3 and a molecular weight of 167.59 g/mol. Its IUPAC name is (3-hydroxycyclobutyl) carbamate;hydrochloride.

Molecular Properties

Compound Name(3-hydroxycyclobutyl) carbamate;hydrochloride
PubChem CID175125432
Molecular FormulaC5H10ClNO3
Molecular Weight167.59 g/mol
Exact Mass167.03
IUPAC Name(3-hydroxycyclobutyl) carbamate;hydrochloride
SMILESCl.NC(=O)OC1CC(O)C1
InChIInChI=1S/C5H9NO3.ClH/c6-5(8)9-4-1-3(7)2-4;/h3-4,7H,1-2H2,(H2,6,8);1H
InChIKeyCQNCNCFNFSCXEF-UHFFFAOYSA-N
XLogP0.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-5-yl carbamate
CID 175218198
[3-(2-hydroxyethyl)cyclobutyl] carbamate
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(4-aminocyclohexyl) carbamate;hydrochloride
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[(1R,3R)-3-aminocyclopentyl] carbamate
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[(3S)-3-aminocyclopentyl] carbamate
CID 175196107
[(1S,3R)-3-fluorocyclopentyl] carbamate
CID 175108373
[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate
CID 175169048
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
[(1S,3S)-3-carbamoylcyclohexyl] carbamate
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CID 22083226

Frequently Asked Questions

What is the IUPAC name of (3-hydroxycyclobutyl) carbamate;hydrochloride?
The IUPAC name of (3-hydroxycyclobutyl) carbamate;hydrochloride (CID 175125432) is (3-hydroxycyclobutyl) carbamate;hydrochloride.
What is the SMILES notation for (3-hydroxycyclobutyl) carbamate;hydrochloride?
The canonical SMILES for (3-hydroxycyclobutyl) carbamate;hydrochloride is Cl.NC(=O)OC1CC(O)C1.
What is the InChIKey of (3-hydroxycyclobutyl) carbamate;hydrochloride?
The InChIKey is CQNCNCFNFSCXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3.ClH/c6-5(8)9-4-1-3(7)2-4;/h3-4,7H,1-2H2,(H2,6,8);1H.
What are the key properties of (3-hydroxycyclobutyl) carbamate;hydrochloride?
(3-hydroxycyclobutyl) carbamate;hydrochloride has a molecular weight of 167.59 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxycyclobutyl) carbamate;hydrochloride is sourced from PubChem (CID 175125432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).