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

C9H16ClN3O4 — CID 19602497

IUPAC2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
SMILESCl.NC(CO)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H15N3O4.ClH/c10-6(4-13)9(15)11-2-5-3-12-7(14)1-8(12)16-5;/h5-6,8,13H,1-4,10H2,(H,11,15);1H
InChIKeyQYGSNTXPOOJJIF-UHFFFAOYSA-N
MW265.70 g/mol
LogP-2.20
Rot. Bonds4

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

2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride (PubChem CID 19602497) has the molecular formula C9H16ClN3O4 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
PubChem CID19602497
Molecular FormulaC9H16ClN3O4
Molecular Weight265.70 g/mol
Exact Mass265.08
IUPAC Name2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
SMILESCl.NC(CO)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H15N3O4.ClH/c10-6(4-13)9(15)11-2-5-3-12-7(14)1-8(12)16-5;/h5-6,8,13H,1-4,10H2,(H,11,15);1H
InChIKeyQYGSNTXPOOJJIF-UHFFFAOYSA-N
XLogP-2.20
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride (CID 19602497) is 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride is Cl.NC(CO)C(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
The InChIKey is QYGSNTXPOOJJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4.ClH/c10-6(4-13)9(15)11-2-5-3-12-7(14)1-8(12)16-5;/h5-6,8,13H,1-4,10H2,(H,11,15);1H.
What are the key properties of 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride?
2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride has a molecular weight of 265.70 g/mol, XLogP of -2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 19602497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).