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

C11H19N3O3 — CID 19602463

IUPAC2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide
SMILESCC(C)C(N)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C11H19N3O3/c1-6(2)10(12)11(16)13-4-7-5-14-8(15)3-9(14)17-7/h6-7,9-10H,3-5,12H2,1-2H3,(H,13,16)
InChIKeyAGQNHBIPPGNTGR-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.96
Rot. Bonds4

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

2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide (PubChem CID 19602463) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide
PubChem CID19602463
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide
SMILESCC(C)C(N)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C11H19N3O3/c1-6(2)10(12)11(16)13-4-7-5-14-8(15)3-9(14)17-7/h6-7,9-10H,3-5,12H2,1-2H3,(H,13,16)
InChIKeyAGQNHBIPPGNTGR-UHFFFAOYSA-N
XLogP-0.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride
CID 19602462
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
CID 19602470
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602471
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
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
2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602502
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
CID 54483231
2-Acetyl-6-(methylamino)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 58849994
(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-acetamido-3-methylbutanoate
CID 67590954
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide;hydrochloride
CID 67591803
2-acetamido-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
CID 67591932
(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoate;hydrochloride
CID 70345043

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide (CID 19602463) is 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide is CC(C)C(N)C(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide?
The InChIKey is AGQNHBIPPGNTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6(2)10(12)11(16)13-4-7-5-14-8(15)3-9(14)17-7/h6-7,9-10H,3-5,12H2,1-2H3,(H,13,16).
What are the key properties of 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide?
2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide has a molecular weight of 241.29 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide is sourced from PubChem (CID 19602463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).