(1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 100943472) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	100943472
Molecular Formula	C14H19N3O4
Molecular Weight	293.32 g/mol
Exact Mass	293.14
IUPAC Name	(1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CC(C)NC(=O)[C@H]1[C@H]2C(=O)N(CC(N)=O)C[C@]23C=C[C@H]1O3
InChI	InChI=1S/C14H19N3O4/c1-7(2)16-12(19)10-8-3-4-14(21-8)6-17(5-9(15)18)13(20)11(10)14/h3-4,7-8,10-11H,5-6H2,1-2H3,(H2,15,18)(H,16,19)/t8-,10-,11+,14-/m1/s1
InChIKey	HGVZESOXZKHCOQ-GCDPNZCJSA-N
XLogP	-1.22
TPSA	101.73 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.32
LogP ≤ 5	-1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 100943472) is (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CC(C)NC(=O)[C@H]1[C@H]2C(=O)N(CC(N)=O)C[C@]23C=C[C@H]1O3.

What is the InChIKey of (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is HGVZESOXZKHCOQ-GCDPNZCJSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7(2)16-12(19)10-8-3-4-14(21-8)6-17(5-9(15)18)13(20)11(10)14/h3-4,7-8,10-11H,5-6H2,1-2H3,(H2,15,18)(H,16,19)/t8-,10-,11+,14-/m1/s1.

What are the key properties of (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 293.32 g/mol, XLogP of -1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R,6S,7R)-3-(2-amino-2-oxoethyl)-4-oxo-N-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 100943472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).