3-amino-1-methylpyrrolidine-3-carboxylic acid

C6H12N2O2 — CID 62976583

IUPAC3-amino-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C6H12N2O2/c1-8-3-2-6(7,4-8)5(9)10/h2-4,7H2,1H3,(H,9,10)
InChIKeyXBIAAUWIPXUXDE-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.90
Rot. Bonds1

About 3-amino-1-methylpyrrolidine-3-carboxylic acid

3-amino-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 62976583) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-methylpyrrolidine-3-carboxylic acid
PubChem CID62976583
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-1-methylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(N)(C(=O)O)C1
InChIInChI=1S/C6H12N2O2/c1-8-3-2-6(7,4-8)5(9)10/h2-4,7H2,1H3,(H,9,10)
InChIKeyXBIAAUWIPXUXDE-UHFFFAOYSA-N
XLogP-0.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cucurbitine
CID 442634
3-Aminopyrrolidine-3-carboxylic acid dihydrochloride
CID 11694114
3-Aminopyrrolidine-3-carboxylic acid
CID 415763
3-Amino-1-methylpyrrolidine-3-carboxylic acid;dihydrochloride
CID 177798920
(3S)-3-aminopyrrolidine-3-carboxylic acid
CID 11029875
1-Methyl-3-(2,2,2-trifluoroethylamino)pyrrolidine-3-carboxylic acid
CID 62976227
3-Amino-1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 107323120
3-Amino-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxylic acid
CID 107323746
3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 107324242
3-Amino-1-(2-fluoroethyl)pyrrolidine-3-carboxylic acid
CID 107324862
3-Amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-Amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 107324867

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-methylpyrrolidine-3-carboxylic acid (CID 62976583) is 3-amino-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-methylpyrrolidine-3-carboxylic acid is CN1CCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XBIAAUWIPXUXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-8-3-2-6(7,4-8)5(9)10/h2-4,7H2,1H3,(H,9,10).
What are the key properties of 3-amino-1-methylpyrrolidine-3-carboxylic acid?
3-amino-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 62976583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).