3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid

C16H26N2O3 — CID 115560814

IUPAC3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)N2CC3CCCC3C2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)5-4-12-6-8-17(9-7-12)16(21)18-10-13-2-1-3-14(13)11-18/h12-14H,1-11H2,(H,19,20)
InChIKeySZIQOOKLHHJQCR-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.42
Rot. Bonds3

About 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 115560814) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID115560814
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)N2CC3CCCC3C2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)5-4-12-6-8-17(9-7-12)16(21)18-10-13-2-1-3-14(13)11-18/h12-14H,1-11H2,(H,19,20)
InChIKeySZIQOOKLHHJQCR-UHFFFAOYSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 115560854
3-[1-(thiomorpholine-4-carbonyl)piperidin-4-yl]propanoic acid
CID 55049567
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-[1-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 82753199
3-[1-(2,3-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62211352
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
3-[1-(3-cyclopropylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65062495
3-[1-(4-hydroxy-3-methylpiperidine-1-carbonyl)pyrrolidin-3-yl]propanoic acid
CID 114679445
3-[1-(2,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]propanoic acid
CID 62332210
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-oxohexanoic acid
CID 43620227
3-[1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]pyrrolidin-3-yl]propanoic acid
CID 83017879
3-[1-(3-methoxypyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 103536351

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid (CID 115560814) is 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)N2CC3CCCC3C2)CC1.
What is the InChIKey of 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is SZIQOOKLHHJQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)5-4-12-6-8-17(9-7-12)16(21)18-10-13-2-1-3-14(13)11-18/h12-14H,1-11H2,(H,19,20).
What are the key properties of 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 115560814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).