2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid

C11H13NO5 — CID 117011250

IUPAC2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
SMILESO=C(O)CC1CCOC(=O)N1Cc1ccco1
InChIInChI=1S/C11H13NO5/c13-10(14)6-8-3-5-17-11(15)12(8)7-9-2-1-4-16-9/h1-2,4,8H,3,5-7H2,(H,13,14)
InChIKeyPSPVTCJRDGVZJT-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.47
Rot. Bonds4

About 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid

2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid (PubChem CID 117011250) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
PubChem CID117011250
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
SMILESO=C(O)CC1CCOC(=O)N1Cc1ccco1
InChIInChI=1S/C11H13NO5/c13-10(14)6-8-3-5-17-11(15)12(8)7-9-2-1-4-16-9/h1-2,4,8H,3,5-7H2,(H,13,14)
InChIKeyPSPVTCJRDGVZJT-UHFFFAOYSA-N
XLogP1.47
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-2-oxo-1,3-oxazinan-4-yl)acetic acid
CID 117011235
2-[4-(furan-2-ylmethyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80519596
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
3-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-6-yl]propanoic acid
CID 117011105
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
4-(2-aminoethyl)-3-benzyl-1,3-oxazinan-2-one
CID 117010904
2-[(2R)-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-1-yl]acetic acid
CID 59093591
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284219
2-[3-[(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060184

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid?
The IUPAC name of 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid (CID 117011250) is 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid.
What is the SMILES notation for 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid?
The canonical SMILES for 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid is O=C(O)CC1CCOC(=O)N1Cc1ccco1.
What is the InChIKey of 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid?
The InChIKey is PSPVTCJRDGVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c13-10(14)6-8-3-5-17-11(15)12(8)7-9-2-1-4-16-9/h1-2,4,8H,3,5-7H2,(H,13,14).
What are the key properties of 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid?
2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid is sourced from PubChem (CID 117011250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).