5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid

C10H20N2O2 — CID 83848024

IUPAC5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCNC1C(C(=O)O)CN(C(C)C)C1C
InChIInChI=1S/C10H20N2O2/c1-6(2)12-5-8(10(13)14)9(11-4)7(12)3/h6-9,11H,5H2,1-4H3,(H,13,14)
InChIKeyWKZVDQJQZJMJEK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.39
Rot. Bonds3

About 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid

5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 83848024) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID83848024
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCNC1C(C(=O)O)CN(C(C)C)C1C
InChIInChI=1S/C10H20N2O2/c1-6(2)12-5-8(10(13)14)9(11-4)7(12)3/h6-9,11H,5H2,1-4H3,(H,13,14)
InChIKeyWKZVDQJQZJMJEK-UHFFFAOYSA-N
XLogP0.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 83847027
2-methyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 79372586
1,3-di(propan-2-yl)imidazolidine-2-carboxylic acid
CID 126689000
1-(1-propan-2-ylaziridin-2-yl)ethanone
CID 160809757
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
(2S,3R)-1-propan-2-ylpiperidine-2,3-dicarboxylic acid
CID 124744772
(1R,4R)-N-methyl-2-propan-2-yl-2-azabicyclo[2.1.1]hexan-5-amine
CID 172546338
4-hydroxy-1-propan-2-ylpiperidine-3-carboxylic acid
CID 83483363
(2S,4R)-4-methoxy-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 53487433
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96603802
4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63719521
1-(1-cyclopentylethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79383655

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 83848024) is 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid is CNC1C(C(=O)O)CN(C(C)C)C1C.
What is the InChIKey of 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is WKZVDQJQZJMJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-6(2)12-5-8(10(13)14)9(11-4)7(12)3/h6-9,11H,5H2,1-4H3,(H,13,14).
What are the key properties of 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83848024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).