2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid

C10H18N2O3 — CID 105467640

IUPAC2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
SMILESCC(C)CN1C(=O)CCCN1CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-8(2)6-12-9(13)4-3-5-11(12)7-10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyGDBIPRQKOVKSFB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.57
Rot. Bonds4

About 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid

2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid (PubChem CID 105467640) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
PubChem CID105467640
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid
SMILESCC(C)CN1C(=O)CCCN1CC(=O)O
InChIInChI=1S/C10H18N2O3/c1-8(2)6-12-9(13)4-3-5-11(12)7-10(14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyGDBIPRQKOVKSFB-UHFFFAOYSA-N
XLogP0.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methylpropyl)-3-oxopyrazolidin-1-yl]acetic acid
CID 105452768
1-(3-hydroxypropyl)-2-(2-methylpropyl)diazinan-3-one
CID 105467991
2-(3-oxo-2-propan-2-ylpyrazolidin-1-yl)acetic acid
CID 105442055
1-(2-amino-2-methylpropyl)-2-(2-methylpropyl)pyrazolidin-3-one
CID 105467132
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 79027708
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-(3-hydroxybutyl)-1-(2-methylpropyl)pyrazolidin-3-one
CID 105468014
3-(2-ethyl-3-oxopyrazolidin-1-yl)-2-methylpropanoic acid
CID 105452750
1-ethyl-2-(2-hydroxypropyl)pyrazolidin-3-one
CID 105435195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid (CID 105467640) is 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid is CC(C)CN1C(=O)CCCN1CC(=O)O.
What is the InChIKey of 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid?
The InChIKey is GDBIPRQKOVKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(2)6-12-9(13)4-3-5-11(12)7-10(14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid?
2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid has a molecular weight of 214.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-3-oxodiazinan-1-yl]acetic acid is sourced from PubChem (CID 105467640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).