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

C13H23ClN4O4 — CID 19602489

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

2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride (PubChem CID 19602489) has the molecular formula C13H23ClN4O4 and a molecular weight of 334.80 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride
• PubChem CID: 19602489
• Molecular Formula: C13H23ClN4O4
• Molecular Weight: 334.80 g/mol
• Exact Mass: 334.14
• IUPAC Name: 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride
• SMILES: CC(C)C(N)C(=O)NCC(=O)NCC1CN2C(=O)CC2O1.Cl
• InChI: InChI=1S/C13H22N4O4.ClH/c1-7(2)12(14)13(20)16-5-9(18)15-4-8-6-17-10(19)3-11(17)21-8;/h7-8,11-12H,3-6,14H2,1-2H3,(H,15,18)(H,16,20);1H
• InChIKey: PJHMCVHGCNDUNB-UHFFFAOYSA-N
• XLogP: -1.42
• TPSA: 113.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.80
LogP ≤ 5	-1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride?

The IUPAC name of 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride (CID 19602489) is 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride.

What is the SMILES notation for 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride?

The canonical SMILES for 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride is CC(C)C(N)C(=O)NCC(=O)NCC1CN2C(=O)CC2O1.Cl.

What is the InChIKey of 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride?

The InChIKey is PJHMCVHGCNDUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4.ClH/c1-7(2)12(14)13(20)16-5-9(18)15-4-8-6-17-10(19)3-11(17)21-8;/h7-8,11-12H,3-6,14H2,1-2H3,(H,15,18)(H,16,20);1H.

What are the key properties of 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride?

2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride has a molecular weight of 334.80 g/mol, XLogP of -1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 19602489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).