4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid

C10H17NO2 — CID 105440635

IUPAC4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1CC(C2CCC2)CC1C(=O)O
InChIInChI=1S/C10H17NO2/c1-11-6-8(7-3-2-4-7)5-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyKVFUGSFVLAIGDO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds2

About 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid

4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 105440635) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid
PubChem CID105440635
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1CC(C2CCC2)CC1C(=O)O
InChIInChI=1S/C10H17NO2/c1-11-6-8(7-3-2-4-7)5-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13)
InChIKeyKVFUGSFVLAIGDO-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid (CID 105440635) is 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid is CN1CC(C2CCC2)CC1C(=O)O.
What is the InChIKey of 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is KVFUGSFVLAIGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-6-8(7-3-2-4-7)5-9(11)10(12)13/h7-9H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid?
4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105440635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).