1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid

C9H18N2O2 — CID 21341643

IUPAC1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESCNCCC1CC(C(=O)O)N(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-4-3-7-5-8(9(12)13)11(2)6-7/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyHBZPAPBETBRREP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.00
Rot. Bonds4

About 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid

1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 21341643) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID21341643
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid
SMILESCNCCC1CC(C(=O)O)N(C)C1
InChIInChI=1S/C9H18N2O2/c1-10-4-3-7-5-8(9(12)13)11(2)6-7/h7-8,10H,3-6H2,1-2H3,(H,12,13)
InChIKeyHBZPAPBETBRREP-UHFFFAOYSA-N
XLogP0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Dihydrokainic acid
CID 107883
(2S,3R)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 146970397
4-Methylproline
CID 352051
H-Leu-Ala-Pro-OH
CID 9835925
(2S)-1-[(2S)-2-[(1-carboxy-4-methylpentyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 44317220
(2S,3S,4R)-3-(3-boronopropyl)-4-(dimethylamino)pyrrolidine-2-carboxylic acid
CID 150886950
(2S,3R,5R)-3-(3-boronopropyl)-5-methylpyrrolidine-2-carboxylic acid
CID 155793084
(2S,3R)-3-(3-boronopropyl)-3-methylpyrrolidine-2-carboxylic acid
CID 155793126
3-(3-Boronopropyl)pyrrolidine-2-carboxylic acid
CID 155793328
(2S,3R,4R)-3-(3-boronopropyl)-4-(methylamino)pyrrolidine-2-carboxylic acid
CID 155793365
(2S,3S)-3-(3-boronopropyl)pyrrolidine-2-carboxylic acid
CID 155793388
(2S,3S)-3-methylpyrrolidine-2-carboxylic Acid
CID 2724879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid (CID 21341643) is 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid is CNCCC1CC(C(=O)O)N(C)C1.
What is the InChIKey of 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HBZPAPBETBRREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-4-3-7-5-8(9(12)13)11(2)6-7/h7-8,10H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid?
1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21341643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).