3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid

C13H21NO5 — CID 104855710

IUPAC3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H21NO5/c15-12(16)5-9-18-10-3-6-14(7-4-10)13(17)11-2-1-8-19-11/h10-11H,1-9H2,(H,15,16)/t11-/m0/s1
InChIKeyVRHVGCXVKKQPNB-NSHDSACASA-N
MW271.31 g/mol
LogP0.65
Rot. Bonds5

About 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 104855710) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid
PubChem CID104855710
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H21NO5/c15-12(16)5-9-18-10-3-6-14(7-4-10)13(17)11-2-1-8-19-11/h10-11H,1-9H2,(H,15,16)/t11-/m0/s1
InChIKeyVRHVGCXVKKQPNB-NSHDSACASA-N
XLogP0.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-hydroxyethoxy)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103899128
2-[1-(oxane-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 55250892
3-[1-(5-methyloxolane-2-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 81325178
N-(3-cyclopentyloxypropyl)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxamide
CID 125438596
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
3-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 81140994
3-cyclopentyloxypropanoic acid
CID 24706641
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid (CID 104855710) is 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is VRHVGCXVKKQPNB-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO5/c15-12(16)5-9-18-10-3-6-14(7-4-10)13(17)11-2-1-8-19-11/h10-11H,1-9H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 271.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 104855710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).