6-oxo-1-propyldiazinane-4-carboxylic acid

C8H14N2O3 — CID 84660587

IUPAC6-oxo-1-propyldiazinane-4-carboxylic acid
SMILESCCCN1NCC(C(=O)O)CC1=O
InChIInChI=1S/C8H14N2O3/c1-2-3-10-7(11)4-6(5-9-10)8(12)13/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyRVZJZMXYYDAJEA-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.17
Rot. Bonds3

About 6-oxo-1-propyldiazinane-4-carboxylic acid

6-oxo-1-propyldiazinane-4-carboxylic acid (PubChem CID 84660587) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 6-oxo-1-propyldiazinane-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propyldiazinane-4-carboxylic acid
PubChem CID84660587
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name6-oxo-1-propyldiazinane-4-carboxylic acid
SMILESCCCN1NCC(C(=O)O)CC1=O
InChIInChI=1S/C8H14N2O3/c1-2-3-10-7(11)4-6(5-9-10)8(12)13/h6,9H,2-5H2,1H3,(H,12,13)
InChIKeyRVZJZMXYYDAJEA-UHFFFAOYSA-N
XLogP-0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyldiazinane-4-carboxylic acid?
The IUPAC name of 6-oxo-1-propyldiazinane-4-carboxylic acid (CID 84660587) is 6-oxo-1-propyldiazinane-4-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propyldiazinane-4-carboxylic acid?
The canonical SMILES for 6-oxo-1-propyldiazinane-4-carboxylic acid is CCCN1NCC(C(=O)O)CC1=O.
What is the InChIKey of 6-oxo-1-propyldiazinane-4-carboxylic acid?
The InChIKey is RVZJZMXYYDAJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-3-10-7(11)4-6(5-9-10)8(12)13/h6,9H,2-5H2,1H3,(H,12,13).
What are the key properties of 6-oxo-1-propyldiazinane-4-carboxylic acid?
6-oxo-1-propyldiazinane-4-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyldiazinane-4-carboxylic acid is sourced from PubChem (CID 84660587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).