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

C9H15N3O4 — CID 19602498

IUPAC2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
SMILESNC(CO)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H15N3O4/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)
InChIKeyQGNDIJRJAGUWNF-UHFFFAOYSA-N
MW229.24 g/mol
LogP-2.62
Rot. Bonds4

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

2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide (PubChem CID 19602498) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 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.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
PubChem CID19602498
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
SMILESNC(CO)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H15N3O4/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)
InChIKeyQGNDIJRJAGUWNF-UHFFFAOYSA-N
XLogP-2.62
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-2.62
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?
The IUPAC name of 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide (CID 19602498) is 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide.
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?
The canonical SMILES for 2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide is 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?
The InChIKey is QGNDIJRJAGUWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/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).
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?
2-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide has a molecular weight of 229.24 g/mol, XLogP of -2.62, 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 is sourced from PubChem (CID 19602498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).