3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid

C10H17NO4 — CID 117011202

IUPAC3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
SMILESCC(C)N1CC(CCC(=O)O)COC1=O
InChIInChI=1S/C10H17NO4/c1-7(2)11-5-8(3-4-9(12)13)6-15-10(11)14/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyIPDNXKAAAQMRIQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds4

About 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid

3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid (PubChem CID 117011202) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
PubChem CID117011202
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid
SMILESCC(C)N1CC(CCC(=O)O)COC1=O
InChIInChI=1S/C10H17NO4/c1-7(2)11-5-8(3-4-9(12)13)6-15-10(11)14/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyIPDNXKAAAQMRIQ-UHFFFAOYSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
CID 117002200
2-oxo-3-propan-2-yl-1,3-oxazinane-5-carboxylic acid
CID 83847070
3-(3-cyclopentyl-2-oxo-1,3-oxazinan-5-yl)propanoic acid
CID 117011208
5-(2-aminoethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117002371
5-methyl-3-propan-2-yl-1,3-oxazinan-2-one
CID 156532561
5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 126662409
2-(3-ethyl-2-oxo-1,3-oxazinan-5-yl)acetic acid
CID 117002133
3-[5-(methylamino)-1-propan-2-ylpiperidin-3-yl]propanoic acid
CID 83989667
3-(2-oxooxan-4-yl)propanoic acid
CID 177019128
(5R)-5-(hydroxymethyl)-3-propan-2-yl-1,3-oxazolidin-2-one
CID 2793991
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323
2,2-dimethyl-5-oxo-5-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentanoic acid
CID 118343251

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid?
The IUPAC name of 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid (CID 117011202) is 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid?
The canonical SMILES for 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid is CC(C)N1CC(CCC(=O)O)COC1=O.
What is the InChIKey of 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid?
The InChIKey is IPDNXKAAAQMRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)11-5-8(3-4-9(12)13)6-15-10(11)14/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid?
3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-propan-2-yl-1,3-oxazinan-5-yl)propanoic acid is sourced from PubChem (CID 117011202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).