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

C11H20ClN3O3 — CID 19602462

IUPAC2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCC1CN2C(=O)CC2O1.Cl
InChIInChI=1S/C11H19N3O3.ClH/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);1H
InChIKeySYNIFRPGOJRNQD-UHFFFAOYSA-N
MW277.75 g/mol
LogP-0.54
Rot. Bonds4

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

2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride (PubChem CID 19602462) has the molecular formula C11H20ClN3O3 and a molecular weight of 277.75 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;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride
PubChem CID19602462
Molecular FormulaC11H20ClN3O3
Molecular Weight277.75 g/mol
Exact Mass277.12
IUPAC Name2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride
SMILESCC(C)C(N)C(=O)NCC1CN2C(=O)CC2O1.Cl
InChIInChI=1S/C11H19N3O3.ClH/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);1H
InChIKeySYNIFRPGOJRNQD-UHFFFAOYSA-N
XLogP-0.54
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 5-0.54
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
CID 19602463
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-amino-3-hydroxy-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide;hydrochloride
CID 19602497
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-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
(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-amino-3-methylbutanoate;hydrochloride
CID 70345310

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;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride (CID 19602462) is 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride is CC(C)C(N)C(=O)NCC1CN2C(=O)CC2O1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride?
The InChIKey is SYNIFRPGOJRNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3.ClH/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);1H.
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;hydrochloride?
2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of -0.54, 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;hydrochloride is sourced from PubChem (CID 19602462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).