[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate

C8H16N2O3 — CID 175169048

IUPAC[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate
SMILESNC(=O)OC1CC(CC(N)CO)C1
InChIInChI=1S/C8H16N2O3/c9-6(4-11)1-5-2-7(3-5)13-8(10)12/h5-7,11H,1-4,9H2,(H2,10,12)
InChIKeyVPQALLQIUXHVLL-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.43
Rot. Bonds4

About [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate

[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate (PubChem CID 175169048) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate.

Molecular Properties

Compound Name[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate
PubChem CID175169048
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate
SMILESNC(=O)OC1CC(CC(N)CO)C1
InChIInChI=1S/C8H16N2O3/c9-6(4-11)1-5-2-7(3-5)13-8(10)12/h5-7,11H,1-4,9H2,(H2,10,12)
InChIKeyVPQALLQIUXHVLL-UHFFFAOYSA-N
XLogP-0.43
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)cyclobutyl] carbamate
CID 175068010
(3-iodocyclobutyl) carbamate
CID 175447577
(3-hydroxycyclobutyl) carbamate;hydrochloride
CID 175125432
[3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclobutyl] carbamate
CID 138695751
[(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
tert-butyl 3-[(2R)-2-amino-3-hydroxypropyl]azetidine-1-carboxylate
CID 166149628
(3-ethynylcyclobutyl) carbamate
CID 142547737
(4-aminocyclohexyl) carbamate;hydrochloride
CID 174943880
(2R)-2-amino-3-spiro[3.3]heptan-2-ylpropan-1-ol;hydrochloride
CID 169093167
(4-propan-2-ylcyclohexyl) carbamate
CID 122545653

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate?
The IUPAC name of [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate (CID 175169048) is [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate.
What is the SMILES notation for [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate?
The canonical SMILES for [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate is NC(=O)OC1CC(CC(N)CO)C1.
What is the InChIKey of [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate?
The InChIKey is VPQALLQIUXHVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-6(4-11)1-5-2-7(3-5)13-8(10)12/h5-7,11H,1-4,9H2,(H2,10,12).
What are the key properties of [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate?
[3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate has a molecular weight of 188.23 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-3-hydroxypropyl)cyclobutyl] carbamate is sourced from PubChem (CID 175169048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).