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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Related Compounds

(3S,4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid
CID 5288070
2-methyl-6-oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-3-carboxylic acid
CID 20759050
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R)-1,4-dimethylpyrrolidine-2-carboxylic acid
CID 175489667
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
1,4-dimethylpyrrolidine-2-carboxylic acid;ethane
CID 169199201
1,6-dimethylazepane-2-carboxylic acid;ethane
CID 145183332
(2R,3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 11286855
N,N,2-trimethyl-1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridine-3-carboxamide
CID 20624795
(2S,4S)-4-cyclohexyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 2756008

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).