3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid

C16H27NO4 — CID 129402382

IUPAC3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid
SMILESC[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)C1CCOCC1
InChIInChI=1S/C16H27NO4/c1-12(14-6-9-21-10-7-14)16(20)17-8-2-3-13(11-17)4-5-15(18)19/h12-14H,2-11H2,1H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyMLJDUSAXGPUGSA-CHWSQXEVSA-N
MW297.39 g/mol
LogP2.15
Rot. Bonds5

About 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid (PubChem CID 129402382) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid
PubChem CID129402382
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid
SMILESC[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)C1CCOCC1
InChIInChI=1S/C16H27NO4/c1-12(14-6-9-21-10-7-14)16(20)17-8-2-3-13(11-17)4-5-15(18)19/h12-14H,2-11H2,1H3,(H,18,19)/t12-,13-/m1/s1
InChIKeyMLJDUSAXGPUGSA-CHWSQXEVSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid with MolForge

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Related Compounds

2-[1-[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 2348562
3-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}butanoic acid
CID 71691535
2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-(2-morpholin-4-ylethyl)piperidin-4-yl]acetic acid
CID 25312947
2-[(3R,4S)-1-(3,3-dimethylbutanoyl)-3-(2-morpholin-4-ylethyl)piperidin-4-yl]acetic acid
CID 25312907
2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-(2-morpholin-4-ylethyl)piperidin-4-yl]acetic acid
CID 28959843
3-(3-Ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid
CID 126721330
3-[(3S)-1-[(2R)-2-(3-methylbutoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129414659
3-[1-(2,2,2-Trifluoroethoxycarbonyl)piperidin-3-yl]butanoic acid
CID 81046346
3-[1-[3-(2,2-Difluoroethoxy)propanoyl]piperidin-3-yl]butanoic acid
CID 103206148
2-Isobutyl-5-(4-morpholinyl)-5-oxopentanoic acid
CID 2988435
3-[1-(Oxane-3-carbonyl)piperidin-3-yl]propanoic acid
CID 62758630
1-[2,2-Dimethyl-3-(oxan-4-YL)propanoyl]piperidine-3-carboxylic acid
CID 102553832

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid (CID 129402382) is 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid is C[C@@H](C(=O)N1CCC[C@H](CCC(=O)O)C1)C1CCOCC1.
What is the InChIKey of 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid?
The InChIKey is MLJDUSAXGPUGSA-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12(14-6-9-21-10-7-14)16(20)17-8-2-3-13(11-17)4-5-15(18)19/h12-14H,2-11H2,1H3,(H,18,19)/t12-,13-/m1/s1.
What are the key properties of 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid has a molecular weight of 297.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[(2R)-2-(oxan-4-yl)propanoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 129402382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).