4-amino-5-methylpyrrolidine-2-carboxylic acid

C6H12N2O2 — CID 55289228

IUPAC4-amino-5-methylpyrrolidine-2-carboxylic acid
SMILESCC1NC(C(=O)O)CC1N
InChIInChI=1S/C6H12N2O2/c1-3-4(7)2-5(8-3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10)
InChIKeyPCXMLVNPWRCJQV-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.85
Rot. Bonds1

About 4-amino-5-methylpyrrolidine-2-carboxylic acid

4-amino-5-methylpyrrolidine-2-carboxylic acid (PubChem CID 55289228) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-amino-5-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-5-methylpyrrolidine-2-carboxylic acid
PubChem CID55289228
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4-amino-5-methylpyrrolidine-2-carboxylic acid
SMILESCC1NC(C(=O)O)CC1N
InChIInChI=1S/C6H12N2O2/c1-3-4(7)2-5(8-3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10)
InChIKeyPCXMLVNPWRCJQV-UHFFFAOYSA-N
XLogP-0.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 68644523
(4S,5S)-4,5-dimethylpyrrolidine-2-carboxylic acid
CID 118312111
(2R,4R)-4-methylazetidine-2-carboxylic acid
CID 138039816
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(2S,7S)-4,6,7-trimethylazepane-2-carboxylic acid
CID 89010279
(2S,4R,6R)-4,6-dimethylpiperidine-2-carboxylic acid
CID 124708734
(4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 143979707
(2S,4R)-5-hydroxy-4-methylpyrrolidine-2-carboxylic acid
CID 89083298
(2S,4S,5S,6S)-5-acetamido-4-hydroxy-6-methylpiperidine-2-carboxylic acid
CID 14805156
4-methylazetidine-2-carboxylic acid;1,4-xylene
CID 175179759
(2S,5R)-5-(carboxymethyl)-4-methylpyrrolidine-2-carboxylic acid
CID 130875085
6-methyl-4-oxopiperidine-2-carboxylic acid
CID 78053770

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-amino-5-methylpyrrolidine-2-carboxylic acid (CID 55289228) is 4-amino-5-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-amino-5-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-amino-5-methylpyrrolidine-2-carboxylic acid is CC1NC(C(=O)O)CC1N.
What is the InChIKey of 4-amino-5-methylpyrrolidine-2-carboxylic acid?
The InChIKey is PCXMLVNPWRCJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-4(7)2-5(8-3)6(9)10/h3-5,8H,2,7H2,1H3,(H,9,10).
What are the key properties of 4-amino-5-methylpyrrolidine-2-carboxylic acid?
4-amino-5-methylpyrrolidine-2-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55289228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).