3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid

C14H23NO4 — CID 124512411

IUPAC3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1
InChIInChI=1S/C14H23NO4/c16-13(9-12-4-2-8-19-12)15-7-1-3-11(10-15)5-6-14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyWBSFPHCQYSRHKM-VXGBXAGGSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds5

About 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid (PubChem CID 124512411) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
PubChem CID124512411
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1
InChIInChI=1S/C14H23NO4/c16-13(9-12-4-2-8-19-12)15-7-1-3-11(10-15)5-6-14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyWBSFPHCQYSRHKM-VXGBXAGGSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124517290
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
1-[2-(oxolan-2-yl)acetyl]piperidine-3-sulfonamide
CID 64867820
(2R)-4-[2-[(2S)-oxolan-2-yl]acetyl]morpholine-2-carboxylic acid
CID 124512416
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160440
1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
3-[(3R)-1-pent-4-enoylpiperidin-3-yl]propanoic acid
CID 94547371

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid (CID 124512411) is 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1.
What is the InChIKey of 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is WBSFPHCQYSRHKM-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(9-12-4-2-8-19-12)15-7-1-3-11(10-15)5-6-14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124512411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).