1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid

C9H15NO2 — CID 83816133

IUPAC1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1CC1
InChIInChI=1S/C9H15NO2/c1-6-8(9(11)12)4-5-10(6)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyFIGBUQWRMIACBX-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.94
Rot. Bonds2

About 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid

1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 83816133) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
PubChem CID83816133
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C1CC1
InChIInChI=1S/C9H15NO2/c1-6-8(9(11)12)4-5-10(6)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyFIGBUQWRMIACBX-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylcycloheptyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383492
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 114079464
1-(4-hydroxy-1,1-dioxothiolan-3-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 79369286
1-(2-hydroxycyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372128
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-methyl-1-(2-methyloxolan-3-yl)pyrrolidine-3-carboxylic acid
CID 82719463
2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
1-(2,2-dimethylcyclopentyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79862792
1-cyclohex-2-en-1-yl-2-methylpyrrolidine-3-carboxylic acid
CID 114620467
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1-cyclopropyl-3-methylpiperidine-4-carboxylic acid
CID 83846866
2-[(2R,3R)-1-cyclopropyl-2-methylpiperidin-3-yl]acetic acid
CID 96621427

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid (CID 83816133) is 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is FIGBUQWRMIACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-8(9(11)12)4-5-10(6)7-2-3-7/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid?
1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83816133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).