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

C8H13N3O3 — CID 54483231

IUPAC2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILESNCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H13N3O3/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5/h5,8H,1-4,9H2,(H,10,12)
InChIKeyXQMKQRDDDQALRW-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.98
Rot. Bonds3

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

2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (PubChem CID 54483231) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
PubChem CID54483231
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide
SMILESNCC(=O)NCC1CN2C(=O)CC2O1
InChIInChI=1S/C8H13N3O3/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5/h5,8H,1-4,9H2,(H,10,12)
InChIKeyXQMKQRDDDQALRW-UHFFFAOYSA-N
XLogP-1.98
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
(3RS,5RS)-3-(N-Chloroacetylaminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
CID 19602469
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
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-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]acetamide?
The IUPAC name of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide (CID 54483231) is 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide is NCC(=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]acetamide?
The InChIKey is XQMKQRDDDQALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-2-6(12)10-3-5-4-11-7(13)1-8(11)14-5/h5,8H,1-4,9H2,(H,10,12).
What are the key properties of 2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide?
2-amino-N-[(7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl)methyl]acetamide has a molecular weight of 199.21 g/mol, XLogP of -1.98, 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]acetamide is sourced from PubChem (CID 54483231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).