3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C6H10N2O2 — CID 19602501

IUPAC3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESNCC1CN2C(=O)CC2O1
InChIInChI=1S/C6H10N2O2/c7-2-4-3-8-5(9)1-6(8)10-4/h4,6H,1-3,7H2
InChIKeyMNLHZIOSIJQTCI-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.10
Rot. Bonds1

About 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 19602501) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID19602501
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESNCC1CN2C(=O)CC2O1
InChIInChI=1S/C6H10N2O2/c7-2-4-3-8-5(9)1-6(8)10-4/h4,6H,1-3,7H2
InChIKeyMNLHZIOSIJQTCI-UHFFFAOYSA-N
XLogP-1.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
CID 9815438
(3S,5S)-3-(N-acetylamino)methyl-4-oxa-1-azabicyclo [3,2,0] heptan-7-one
CID 15871729
(3RS,5RS)-3-Azidomethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602468
(3RS,5RS)-3-(N-Chloroacetylaminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602469
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
CID 19602470
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602471
N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide
CID 19602481
2-(Aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602487
(3RS,5RS)-3-[N-(Formyloxyacetyl)aminomethyl]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602493
2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602502
(3RS,5RS)-3-[N-(Azidoacetyl)aminomethyl]-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602504
3-(Aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride
CID 19602517

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (CID 19602501) is 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is NCC1CN2C(=O)CC2O1.
What is the InChIKey of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is MNLHZIOSIJQTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c7-2-4-3-8-5(9)1-6(8)10-4/h4,6H,1-3,7H2.
What are the key properties of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 142.16 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 19602501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).