ethane;propane;4-pyrrolidin-1-ylbutanoic acid

C13H29NO2 — CID 91210900

IUPACethane;propane;4-pyrrolidin-1-ylbutanoic acid
SMILESCC.CCC.O=C(O)CCCN1CCCC1
InChIInChI=1S/C8H15NO2.C3H8.C2H6/c10-8(11)4-3-7-9-5-1-2-6-9;1-3-2;1-2/h1-7H2,(H,10,11);3H2,1-2H3;1-2H3
InChIKeyIWDZGEOYHWKFSC-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.39
Rot. Bonds4

About ethane;propane;4-pyrrolidin-1-ylbutanoic acid

ethane;propane;4-pyrrolidin-1-ylbutanoic acid (PubChem CID 91210900) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;propane;4-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Nameethane;propane;4-pyrrolidin-1-ylbutanoic acid
PubChem CID91210900
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethane;propane;4-pyrrolidin-1-ylbutanoic acid
SMILESCC.CCC.O=C(O)CCCN1CCCC1
InChIInChI=1S/C8H15NO2.C3H8.C2H6/c10-8(11)4-3-7-9-5-1-2-6-9;1-3-2;1-2/h1-7H2,(H,10,11);3H2,1-2H3;1-2H3
InChIKeyIWDZGEOYHWKFSC-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;4-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of ethane;propane;4-pyrrolidin-1-ylbutanoic acid (CID 91210900) is ethane;propane;4-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for ethane;propane;4-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for ethane;propane;4-pyrrolidin-1-ylbutanoic acid is CC.CCC.O=C(O)CCCN1CCCC1.
What is the InChIKey of ethane;propane;4-pyrrolidin-1-ylbutanoic acid?
The InChIKey is IWDZGEOYHWKFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C3H8.C2H6/c10-8(11)4-3-7-9-5-1-2-6-9;1-3-2;1-2/h1-7H2,(H,10,11);3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;4-pyrrolidin-1-ylbutanoic acid?
ethane;propane;4-pyrrolidin-1-ylbutanoic acid has a molecular weight of 231.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;4-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 91210900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).