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

C15H25NO4 — CID 124517290

IUPAC3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1
InChIInChI=1S/C15H25NO4/c17-14(10-13-5-1-2-9-20-13)16-8-3-4-12(11-16)6-7-15(18)19/h12-13H,1-11H2,(H,18,19)/t12-,13-/m1/s1
InChIKeyDKZCDYVVFJAIKU-CHWSQXEVSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds5

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

3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid (PubChem CID 124517290) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
PubChem CID124517290
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1
InChIInChI=1S/C15H25NO4/c17-14(10-13-5-1-2-9-20-13)16-8-3-4-12(11-16)6-7-15(18)19/h12-13H,1-11H2,(H,18,19)/t12-,13-/m1/s1
InChIKeyDKZCDYVVFJAIKU-CHWSQXEVSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
3-[1-[2-(oxan-2-yl)acetyl]piperidin-3-yl]butanoic acid
CID 81043092
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
3-[(2R)-oxan-2-yl]propanoic acid;hydrochloride
CID 162327782
3-[(3R)-1-pent-4-enoylpiperidin-3-yl]propanoic acid
CID 94547371
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid (CID 124517290) is 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)C[C@H]2CCCCO2)C1.
What is the InChIKey of 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is DKZCDYVVFJAIKU-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H25NO4/c17-14(10-13-5-1-2-9-20-13)16-8-3-4-12(11-16)6-7-15(18)19/h12-13H,1-11H2,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 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)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124517290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).