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

C13H22N4O4 — CID 19602490

IUPAC2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide
SMILESCC(C)C(N)C(=O)NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C13H22N4O4/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)
InChIKeyURNCYWMULZKASH-UHFFFAOYSA-N
MW298.34 g/mol
LogP-1.84
Rot. Bonds6

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

2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide (PubChem CID 19602490) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 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.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide
PubChem CID19602490
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide
SMILESCC(C)C(N)C(=O)NCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C13H22N4O4/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)
InChIKeyURNCYWMULZKASH-UHFFFAOYSA-N
XLogP-1.84
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 19602490) is 2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide.
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?
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 is CC(C)C(N)C(=O)NCC(=O)NCC1CN2C(=O)CC2O1.
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?
The InChIKey is URNCYWMULZKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/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).
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?
2-amino-3-methyl-N-[2-oxo-2-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methylamino]ethyl]butanamide has a molecular weight of 298.34 g/mol, XLogP of -1.84, 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 is sourced from PubChem (CID 19602490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).