2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride

C9H16ClN3O3 — CID 19602470

IUPAC2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCC1CN2C(=O)CC2O1.Cl
InChIInChI=1S/C9H15N3O3.ClH/c1-5(10)9(14)11-3-6-4-12-7(13)2-8(12)15-6;/h5-6,8H,2-4,10H2,1H3,(H,11,14);1H
InChIKeyGKHGQFLDTRVUPB-UHFFFAOYSA-N
MW249.70 g/mol
LogP-1.17
Rot. Bonds3

About 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride

2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride (PubChem CID 19602470) has the molecular formula C9H16ClN3O3 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
PubChem CID19602470
Molecular FormulaC9H16ClN3O3
Molecular Weight249.70 g/mol
Exact Mass249.09
IUPAC Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
SMILESCC(N)C(=O)NCC1CN2C(=O)CC2O1.Cl
InChIInChI=1S/C9H15N3O3.ClH/c1-5(10)9(14)11-3-6-4-12-7(13)2-8(12)15-6;/h5-6,8H,2-4,10H2,1H3,(H,11,14);1H
InChIKeyGKHGQFLDTRVUPB-UHFFFAOYSA-N
XLogP-1.17
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride (CID 19602470) is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride is CC(N)C(=O)NCC1CN2C(=O)CC2O1.Cl.
What is the InChIKey of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is GKHGQFLDTRVUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3.ClH/c1-5(10)9(14)11-3-6-4-12-7(13)2-8(12)15-6;/h5-6,8H,2-4,10H2,1H3,(H,11,14);1H.
What are the key properties of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 249.70 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 19602470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).