(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate

C16H27N3O5 — CID 70345044

IUPAC(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
SMILESCC(C)C(N)C(=O)NC(C(=O)OCC1CN2C(=O)CC2O1)C(C)C
InChIInChI=1S/C16H27N3O5/c1-8(2)13(17)15(21)18-14(9(3)4)16(22)23-7-10-6-19-11(20)5-12(19)24-10/h8-10,12-14H,5-7,17H2,1-4H3,(H,18,21)
InChIKeyZKKNVAZIDRRBRI-UHFFFAOYSA-N
MW341.41 g/mol
LogP-0.39
Rot. Bonds7

About (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate (PubChem CID 70345044) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
PubChem CID70345044
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate
SMILESCC(C)C(N)C(=O)NC(C(=O)OCC1CN2C(=O)CC2O1)C(C)C
InChIInChI=1S/C16H27N3O5/c1-8(2)13(17)15(21)18-14(9(3)4)16(22)23-7-10-6-19-11(20)5-12(19)24-10/h8-10,12-14H,5-7,17H2,1-4H3,(H,18,21)
InChIKeyZKKNVAZIDRRBRI-UHFFFAOYSA-N
XLogP-0.39
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate 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 (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate (CID 70345044) is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate.
What is the SMILES notation for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The canonical SMILES for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate is CC(C)C(N)C(=O)NC(C(=O)OCC1CN2C(=O)CC2O1)C(C)C.
What is the InChIKey of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
The InChIKey is ZKKNVAZIDRRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-8(2)13(17)15(21)18-14(9(3)4)16(22)23-7-10-6-19-11(20)5-12(19)24-10/h8-10,12-14H,5-7,17H2,1-4H3,(H,18,21).
What are the key properties of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate?
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate has a molecular weight of 341.41 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 70345044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).