5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid

C8H13NO4 — CID 75114276

IUPAC5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCC(CC(=O)O)N1
InChIInChI=1S/C8H13NO4/c1-8(7(12)13)3-2-5(9-8)4-6(10)11/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyRNCMEHTXTFFBQW-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.06
Rot. Bonds3

About 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid

5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 75114276) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID75114276
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCC(CC(=O)O)N1
InChIInChI=1S/C8H13NO4/c1-8(7(12)13)3-2-5(9-8)4-6(10)11/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyRNCMEHTXTFFBQW-UHFFFAOYSA-N
XLogP0.06
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(carboxymethyl)-2-methylpyrrolidine-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

2-methyl-5-nitropyrrolidine-2-carboxylic acid
CID 131864195
2-[(2R)-azepan-2-yl]acetic acid
CID 96634576
2-[(2S)-4-oxoazetidin-2-yl]acetic acid
CID 12795461
2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
2-(5,5-dimethylpyrrolidin-2-yl)-1-(4-phenylphenyl)ethanone
CID 22237342
2-[1-(2-methylpiperidine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 113430815
2-(3,3,4,4-tetramethylcyclopentyl)acetic acid
CID 135389559
2-(1-methyl-2-oxabicyclo[2.2.2]octan-3-yl)acetic acid
CID 12842623
(2R)-2-methyl-1,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 53487321
2-(2-hydroxy-5,5-dimethylcyclohexyl)acetic acid
CID 82405792
2-(3,3-dimethylpiperidin-2-yl)acetic acid
CID 10631009
2-(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)acetic acid
CID 115020768

Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid (CID 75114276) is 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCC(CC(=O)O)N1.
What is the InChIKey of 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is RNCMEHTXTFFBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(7(12)13)3-2-5(9-8)4-6(10)11/h5,9H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid?
5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 75114276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).