(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid

C10H18N2O2 — CID 83618259

IUPAC(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11-6-4-8(7-11)12-5-2-3-9(12)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyGOGULFKBVQIXKY-GKAPJAKFSA-N
MW198.27 g/mol
LogP0.24
Rot. Bonds2

About (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83618259) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID83618259
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
SMILESCN1CCC(N2CCC[C@H]2C(=O)O)C1
InChIInChI=1S/C10H18N2O2/c1-11-6-4-8(7-11)12-5-2-3-9(12)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8?,9-/m0/s1
InChIKeyGOGULFKBVQIXKY-GKAPJAKFSA-N
XLogP0.24
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylpyrrolidin-3-yl)piperidine-2-carboxylic acid
CID 65053957
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
1-(1-methylazepan-4-yl)azepane-2-carboxylic acid
CID 65072667
(2R)-1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 51980118
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
1-(1-tert-butylazetidin-3-yl)pyrrolidine-2-carboxylic acid
CID 142538602
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
1-[1-(cyclopropylmethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54906959

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid (CID 83618259) is (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid is CN1CCC(N2CCC[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is GOGULFKBVQIXKY-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-6-4-8(7-11)12-5-2-3-9(12)10(13)14/h8-9H,2-7H2,1H3,(H,13,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 198.27 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83618259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).