(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride

C11H18ClN3O5 — CID 70346503

IUPAC(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride
SMILESCC(N)C(=O)NCC(=O)OCC1CN2C(=O)CC2O1.Cl
InChIInChI=1S/C11H17N3O5.ClH/c1-6(12)11(17)13-3-10(16)18-5-7-4-14-8(15)2-9(14)19-7;/h6-7,9H,2-5,12H2,1H3,(H,13,17);1H
InChIKeyFYPRKOWTBHOAAJ-UHFFFAOYSA-N
MW307.73 g/mol
LogP-1.63
Rot. Bonds5

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

(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride (PubChem CID 70346503) has the molecular formula C11H18ClN3O5 and a molecular weight of 307.73 g/mol. Its IUPAC name is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride.

Molecular Properties

Compound Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride
PubChem CID70346503
Molecular FormulaC11H18ClN3O5
Molecular Weight307.73 g/mol
Exact Mass307.09
IUPAC Name(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride
SMILESCC(N)C(=O)NCC(=O)OCC1CN2C(=O)CC2O1.Cl
InChIInChI=1S/C11H17N3O5.ClH/c1-6(12)11(17)13-3-10(16)18-5-7-4-14-8(15)2-9(14)19-7;/h6-7,9H,2-5,12H2,1H3,(H,13,17);1H
InChIKeyFYPRKOWTBHOAAJ-UHFFFAOYSA-N
XLogP-1.63
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride with MolForge

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Related Compounds

(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminoacetate;hydrochloride
CID 19602460
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-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-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-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 70345188
(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-[(2-aminoacetyl)amino]acetate
CID 70345189
(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-amino-3-methylbutanoate;hydrochloride
CID 70345310
(7-Oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-aminopropanoate;hydrochloride
CID 70346135

Frequently Asked Questions

What is the IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride?
The IUPAC name of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride (CID 70346503) is (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride.
What is the SMILES notation for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride?
The canonical SMILES for (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride is CC(N)C(=O)NCC(=O)OCC1CN2C(=O)CC2O1.Cl.
What is the InChIKey of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride?
The InChIKey is FYPRKOWTBHOAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5.ClH/c1-6(12)11(17)13-3-10(16)18-5-7-4-14-8(15)2-9(14)19-7;/h6-7,9H,2-5,12H2,1H3,(H,13,17);1H.
What are the key properties of (7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride?
(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl 2-(2-aminopropanoylamino)acetate;hydrochloride has a molecular weight of 307.73 g/mol, XLogP of -1.63, 5 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-aminopropanoylamino)acetate;hydrochloride is sourced from PubChem (CID 70346503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).