(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid

C9H16N2O4 — CID 57420331

IUPAC(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
SMILESCN(C)C[C@@]1(C(=O)O)CCCN1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-10(2)6-9(7(12)13)4-3-5-11(9)8(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyZCMSEVNNEZHAFA-SECBINFHSA-N
MW216.24 g/mol
LogP0.15
Rot. Bonds3

About (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid

(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid (PubChem CID 57420331) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
PubChem CID57420331
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid
SMILESCN(C)C[C@@]1(C(=O)O)CCCN1C(=O)O
InChIInChI=1S/C9H16N2O4/c1-10(2)6-9(7(12)13)4-3-5-11(9)8(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1
InChIKeyZCMSEVNNEZHAFA-SECBINFHSA-N
XLogP0.15
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
(2R)-2-(3-hydroxypropyl)pyrrolidine-1,2-dicarboxylic acid
CID 68708136
2-propylpiperidine-1,2-dicarboxylic acid
CID 90772513
1-[2-(dimethylamino)ethylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071053
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-but-2-ynoyl-2-ethylpyrrolidine-2-carboxylic acid
CID 107986958
2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
1-[methyl(3-methylbutyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978298

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid (CID 57420331) is (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid is CN(C)C[C@@]1(C(=O)O)CCCN1C(=O)O.
What is the InChIKey of (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is ZCMSEVNNEZHAFA-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10(2)6-9(7(12)13)4-3-5-11(9)8(14)15/h3-6H2,1-2H3,(H,12,13)(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid?
(2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(dimethylamino)methyl]pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 57420331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).