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

C9H15N3O3 — CID 19602471

IUPAC2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
SMILESCC(N)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H15N3O3/c1-5(10)9(14)11-3-6-4-12-7(13)2-8(12)15-6/h5-6,8H,2-4,10H2,1H3,(H,11,14)
InChIKeyMHYWTEKUTGUEHL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.59
Rot. Bonds3

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

2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide (PubChem CID 19602471) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
PubChem CID19602471
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
SMILESCC(N)C(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C9H15N3O3/c1-5(10)9(14)11-3-6-4-12-7(13)2-8(12)15-6/h5-6,8H,2-4,10H2,1H3,(H,11,14)
InChIKeyMHYWTEKUTGUEHL-UHFFFAOYSA-N
XLogP-1.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
CID 9815438
(3S,5S)-3-(N-acetylamino)methyl-4-oxa-1-azabicyclo [3,2,0] heptan-7-one
CID 15871729
2-amino-3-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]butanamide;hydrochloride
CID 19602462
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
N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]prop-2-ynamide
CID 19602481
2-(Aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602487
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
(3RS, 5SR)-3-aminomethyl-4-oxa-1-azabicyclo [3,2,0] heptan-7-one
CID 19602501
2-methyl-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide
CID 19602502

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
The IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide (CID 19602471) is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
The canonical SMILES for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide is CC(N)C(=O)NCC1CN2C(=O)CC2O1.
What is the InChIKey of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
The InChIKey is MHYWTEKUTGUEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5(10)9(14)11-3-6-4-12-7(13)2-8(12)15-6/h5-6,8H,2-4,10H2,1H3,(H,11,14).
What are the key properties of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide?
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide has a molecular weight of 213.24 g/mol, XLogP of -1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]propanamide is sourced from PubChem (CID 19602471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).