3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid

C11H19NO3 — CID 66857934

IUPAC3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(O)C2CCCC2)C1
InChIInChI=1S/C11H19NO3/c13-10(8-3-1-2-4-8)9-5-6-12(7-9)11(14)15/h8-10,13H,1-7H2,(H,14,15)
InChIKeyLXBLQOBCEXXKHY-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.54
Rot. Bonds2

About 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid

3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 66857934) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid
PubChem CID66857934
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(O)C2CCCC2)C1
InChIInChI=1S/C11H19NO3/c13-10(8-3-1-2-4-8)9-5-6-12(7-9)11(14)15/h8-10,13H,1-7H2,(H,14,15)
InChIKeyLXBLQOBCEXXKHY-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid (CID 66857934) is 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(C(O)C2CCCC2)C1.
What is the InChIKey of 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is LXBLQOBCEXXKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(8-3-1-2-4-8)9-5-6-12(7-9)11(14)15/h8-10,13H,1-7H2,(H,14,15).
What are the key properties of 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid?
3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(hydroxy)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66857934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).