2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid

C9H16N2O3 — CID 83531762

IUPAC2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid
SMILESCC(C)CN1CC(C(=O)O)CC(=O)N1
InChIInChI=1S/C9H16N2O3/c1-6(2)4-11-5-7(9(13)14)3-8(12)10-11/h6-7H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyRQCMKQCUGHHJCK-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.08
Rot. Bonds3

About 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid

2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid (PubChem CID 83531762) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid
PubChem CID83531762
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid
SMILESCC(C)CN1CC(C(=O)O)CC(=O)N1
InChIInChI=1S/C9H16N2O3/c1-6(2)4-11-5-7(9(13)14)3-8(12)10-11/h6-7H,3-5H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyRQCMKQCUGHHJCK-UHFFFAOYSA-N
XLogP0.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Tert-butoxy)carbonyl]-6-oxo-1,2-diazinane-4-carboxylic acid
CID 71757761
4-[(4-Methylpiperazin-1-yl)amino]-4-oxobutanoic acid
CID 4613419
4-Oxo-4-(piperidin-1-ylamino)butanoic acid
CID 66637471
4-(2,2-Dimethylhydrazinyl)-4-oxobutanoic acid;1,1-dimethylpiperidin-1-ium
CID 70363871
4-[2,2-Bis(3-methoxy-3-oxopropyl)hydrazinyl]-4-oxobutanoic acid
CID 89084518
1-Acetamidopiperidine-4-carboxylic acid
CID 140563912
4-Oxo-4-[(3,3,5,5-tetramethylpiperidin-1-yl)amino]butanoic acid
CID 141574708
4-Oxo-4-[(3,3,4,5,5-pentamethylpiperidin-1-yl)amino]butanoic acid
CID 141574710
4-(2-Acetyl-2-ethylhydrazinyl)-3-methyl-4-oxobutanoic acid
CID 156224425
4-(2-Ethyl-2-methylhydrazinyl)-2-methyl-4-oxobutanoic acid
CID 156225128
4-(2,2-Diethylhydrazinyl)-4-oxobutanoic acid
CID 177723327
1-Tert-butyl-3-oxodiazinane-4-carboxylic acid
CID 21859367

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid?
The IUPAC name of 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid (CID 83531762) is 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid.
What is the SMILES notation for 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid?
The canonical SMILES for 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid is CC(C)CN1CC(C(=O)O)CC(=O)N1.
What is the InChIKey of 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid?
The InChIKey is RQCMKQCUGHHJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)4-11-5-7(9(13)14)3-8(12)10-11/h6-7H,3-5H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid?
2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-6-oxodiazinane-4-carboxylic acid is sourced from PubChem (CID 83531762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).