3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid

C14H22N2O3 — CID 102892187

IUPAC3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1NCC2CCCC21)C1CC1
InChIInChI=1S/C14H22N2O3/c17-12(18)6-7-16(10-4-5-10)14(19)13-11-3-1-2-9(11)8-15-13/h9-11,13,15H,1-8H2,(H,17,18)
InChIKeyFUIZXLCPSOUIGW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.84
Rot. Bonds5

About 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid

3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid (PubChem CID 102892187) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
PubChem CID102892187
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)C1NCC2CCCC21)C1CC1
InChIInChI=1S/C14H22N2O3/c17-12(18)6-7-16(10-4-5-10)14(19)13-11-3-1-2-9(11)8-15-13/h9-11,13,15H,1-8H2,(H,17,18)
InChIKeyFUIZXLCPSOUIGW-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid (CID 102892187) is 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid is O=C(O)CCN(C(=O)C1NCC2CCCC21)C1CC1.
What is the InChIKey of 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid?
The InChIKey is FUIZXLCPSOUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(18)6-7-16(10-4-5-10)14(19)13-11-3-1-2-9(11)8-15-13/h9-11,13,15H,1-8H2,(H,17,18).
What are the key properties of 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid?
3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 102892187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).