2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid

C11H21NO2 — CID 96620489

IUPAC2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
SMILESCC(C)C[C@@H]1[C@@H](CC(=O)O)CCN1C
InChIInChI=1S/C11H21NO2/c1-8(2)6-10-9(7-11(13)14)4-5-12(10)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyPATXXJHBDBBIAN-NXEZZACHSA-N
MW199.29 g/mol
LogP1.83
Rot. Bonds4

About 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid

2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid (PubChem CID 96620489) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
PubChem CID96620489
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid
SMILESCC(C)C[C@@H]1[C@@H](CC(=O)O)CCN1C
InChIInChI=1S/C11H21NO2/c1-8(2)6-10-9(7-11(13)14)4-5-12(10)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyPATXXJHBDBBIAN-NXEZZACHSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic 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

2-[(2R,3R)-3-(hydroxymethyl)-1-methylpyrrolidin-2-yl]acetic acid
CID 170368031
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-(1-cyclopropyl-2-ethylpyrrolidin-3-yl)acetic acid
CID 83847805
2-[(2R,3R)-2-ethyl-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 98009847
2-(4-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 84766894
[(2R,3R)-1-methyl-2-(2-methylpropyl)azepan-3-yl]methanamine
CID 96620784
N,1-dimethyl-2-(2-methylpropyl)pyrrolidin-3-amine
CID 83846196
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-(1,3-dimethylimidazolidin-2-yl)acetic acid
CID 96634354
2-[(2R,3R)-1-cyclopropyl-2-methylpyrrolidin-3-yl]acetic acid
CID 82407111
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid (CID 96620489) is 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid is CC(C)C[C@@H]1[C@@H](CC(=O)O)CCN1C.
What is the InChIKey of 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is PATXXJHBDBBIAN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)6-10-9(7-11(13)14)4-5-12(10)3/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid?
2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-1-methyl-2-(2-methylpropyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 96620489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).