6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

C13H21N3O3 — CID 23347602

IUPAC6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCCCN(CCC)C1=C(C(=O)O)N2C(=O)C(N)C2C1
InChIInChI=1S/C13H21N3O3/c1-3-5-15(6-4-2)9-7-8-10(14)12(17)16(8)11(9)13(18)19/h8,10H,3-7,14H2,1-2H3,(H,18,19)
InChIKeyVNNANPVPTMPRRW-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.35
Rot. Bonds6

About 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (PubChem CID 23347602) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
PubChem CID23347602
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SMILESCCCN(CCC)C1=C(C(=O)O)N2C(=O)C(N)C2C1
InChIInChI=1S/C13H21N3O3/c1-3-5-15(6-4-2)9-7-8-10(14)12(17)16(8)11(9)13(18)19/h8,10H,3-7,14H2,1-2H3,(H,18,19)
InChIKeyVNNANPVPTMPRRW-UHFFFAOYSA-N
XLogP0.35
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The IUPAC name of 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (CID 23347602) is 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.
What is the SMILES notation for 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The canonical SMILES for 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is CCCN(CCC)C1=C(C(=O)O)N2C(=O)C(N)C2C1.
What is the InChIKey of 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
The InChIKey is VNNANPVPTMPRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-5-15(6-4-2)9-7-8-10(14)12(17)16(8)11(9)13(18)19/h8,10H,3-7,14H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid?
6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(dipropylamino)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid is sourced from PubChem (CID 23347602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).