1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid

C7H13N3O3 — CID 84660990

IUPAC1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid
SMILESNCCN1NCC(C(=O)O)CC1=O
InChIInChI=1S/C7H13N3O3/c8-1-2-10-6(11)3-5(4-9-10)7(12)13/h5,9H,1-4,8H2,(H,12,13)
InChIKeyWOOQSZLFRWPVNW-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.62
Rot. Bonds3

About 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid

1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid (PubChem CID 84660990) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid
PubChem CID84660990
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid
SMILESNCCN1NCC(C(=O)O)CC1=O
InChIInChI=1S/C7H13N3O3/c8-1-2-10-6(11)3-5(4-9-10)7(12)13/h5,9H,1-4,8H2,(H,12,13)
InChIKeyWOOQSZLFRWPVNW-UHFFFAOYSA-N
XLogP-1.62
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid (CID 84660990) is 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid is NCCN1NCC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid?
The InChIKey is WOOQSZLFRWPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-1-2-10-6(11)3-5(4-9-10)7(12)13/h5,9H,1-4,8H2,(H,12,13).
What are the key properties of 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid?
1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid has a molecular weight of 187.20 g/mol, XLogP of -1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-6-oxodiazinane-4-carboxylic acid is sourced from PubChem (CID 84660990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).