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

C15H25N3O3 — CID 115560854

IUPAC3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)N2CC3CCCC3C2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)4-5-16-6-8-17(9-7-16)15(21)18-10-12-2-1-3-13(12)11-18/h12-13H,1-11H2,(H,19,20)
InChIKeyREHKGOAHIFJCAG-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.93
Rot. Bonds3

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

3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 115560854) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID115560854
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)N2CC3CCCC3C2)CC1
InChIInChI=1S/C15H25N3O3/c19-14(20)4-5-16-6-8-17(9-7-16)15(21)18-10-12-2-1-3-13(12)11-18/h12-13H,1-11H2,(H,19,20)
InChIKeyREHKGOAHIFJCAG-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 115560814
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618
3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 61405185
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
CID 43560613
3-[4-[cyclohexyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61189432
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794
3-[10-(2-carboxyethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propanoic acid
CID 22889167
3-(aziridin-1-yl)propanoic acid;1-methylpiperidin-3-ol
CID 21128423
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
3-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322944
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid (CID 115560854) is 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)N2CC3CCCC3C2)CC1.
What is the InChIKey of 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is REHKGOAHIFJCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)4-5-16-6-8-17(9-7-16)15(21)18-10-12-2-1-3-13(12)11-18/h12-13H,1-11H2,(H,19,20).
What are the key properties of 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 295.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 115560854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).