4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid

C12H22N2O4 — CID 59102707

IUPAC4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
SMILESCN(C)C(CCC(=O)O)CCN1OCCCC1=O
InChIInChI=1S/C12H22N2O4/c1-13(2)10(5-6-12(16)17)7-8-14-11(15)4-3-9-18-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyLSZODLBCCMWUFO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.73
Rot. Bonds7

About 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid

4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid (PubChem CID 59102707) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid.

Molecular Properties

Compound Name4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
PubChem CID59102707
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
SMILESCN(C)C(CCC(=O)O)CCN1OCCCC1=O
InChIInChI=1S/C12H22N2O4/c1-13(2)10(5-6-12(16)17)7-8-14-11(15)4-3-9-18-14/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyLSZODLBCCMWUFO-UHFFFAOYSA-N
XLogP0.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxybutyl)oxazinan-3-one
CID 105435473
3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
CID 105431137
2-(3-hydroxypropyl)oxazinan-3-one
CID 105431183
3-(3-oxooxazinan-2-yl)propanal
CID 105430622
2-(3-aminopropyl)oxazinan-3-one
CID 105430957
2-(2,7-dioxoazepan-1-yl)pentanedioic acid
CID 60829501
5-(2,7-dioxoazepan-1-yl)hexanoic acid
CID 82846685
(4R)-4-(dimethylamino)pentanoic acid
CID 92669584
4-(dimethylamino)pentanoic acid
CID 18442969
5-(2-oxopiperidin-1-yl)hexanoic acid
CID 82847597
4-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]pentanoic acid
CID 82009294
N,N-dimethylmethanamine;2-methylpentanedioic acid
CID 174605031

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid?
The IUPAC name of 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid (CID 59102707) is 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid.
What is the SMILES notation for 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid?
The canonical SMILES for 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid is CN(C)C(CCC(=O)O)CCN1OCCCC1=O.
What is the InChIKey of 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid?
The InChIKey is LSZODLBCCMWUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-13(2)10(5-6-12(16)17)7-8-14-11(15)4-3-9-18-14/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid?
4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid is sourced from PubChem (CID 59102707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).