(2S)-1,3-oxazinane-2-carboxylic acid

C5H9NO3 — CID 142515360

IUPAC(2S)-1,3-oxazinane-2-carboxylic acid
SMILESO=C(O)[C@H]1NCCCO1
InChIInChI=1S/C5H9NO3/c7-5(8)4-6-2-1-3-9-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyLIPZBIGWJNGUAJ-BYPYZUCNSA-N
MW131.13 g/mol
LogP-0.59
Rot. Bonds1

About (2S)-1,3-oxazinane-2-carboxylic acid

(2S)-1,3-oxazinane-2-carboxylic acid (PubChem CID 142515360) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2S)-1,3-oxazinane-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1,3-oxazinane-2-carboxylic acid
PubChem CID142515360
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2S)-1,3-oxazinane-2-carboxylic acid
SMILESO=C(O)[C@H]1NCCCO1
InChIInChI=1S/C5H9NO3/c7-5(8)4-6-2-1-3-9-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyLIPZBIGWJNGUAJ-BYPYZUCNSA-N
XLogP-0.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
1,3-oxazinan-2-yl(phenyl)methanone
CID 121217862
2-(1,3-oxazolidin-2-yl)-2-oxoacetic acid
CID 174974920
1,3-oxazolidin-2-yl(phenyl)methanone
CID 154118649
2-chloro-1-(1,3-oxazolidin-2-yl)ethanone
CID 23220108
1,3-oxazinane-2-carbaldehyde
CID 174640966
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
2-(1,3-dioxan-2-yl)acetic acid
CID 55299929
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
ethane;2-methyl-1,3-oxazinane
CID 142204498
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560

Frequently Asked Questions

What is the IUPAC name of (2S)-1,3-oxazinane-2-carboxylic acid?
The IUPAC name of (2S)-1,3-oxazinane-2-carboxylic acid (CID 142515360) is (2S)-1,3-oxazinane-2-carboxylic acid.
What is the SMILES notation for (2S)-1,3-oxazinane-2-carboxylic acid?
The canonical SMILES for (2S)-1,3-oxazinane-2-carboxylic acid is O=C(O)[C@H]1NCCCO1.
What is the InChIKey of (2S)-1,3-oxazinane-2-carboxylic acid?
The InChIKey is LIPZBIGWJNGUAJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9NO3/c7-5(8)4-6-2-1-3-9-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-1,3-oxazinane-2-carboxylic acid?
(2S)-1,3-oxazinane-2-carboxylic acid has a molecular weight of 131.13 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,3-oxazinane-2-carboxylic acid is sourced from PubChem (CID 142515360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).