5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid

C9H18N2O2 — CID 83847027

IUPAC5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid
SMILESCCC1C(NC)C(C(=O)O)CN1C
InChIInChI=1S/C9H18N2O2/c1-4-7-8(10-2)6(9(12)13)5-11(7)3/h6-8,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyZQHHDQWNEJEAGN-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.00
Rot. Bonds3

About 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid

5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid (PubChem CID 83847027) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid
PubChem CID83847027
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid
SMILESCCC1C(NC)C(C(=O)O)CN1C
InChIInChI=1S/C9H18N2O2/c1-4-7-8(10-2)6(9(12)13)5-11(7)3/h6-8,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyZQHHDQWNEJEAGN-UHFFFAOYSA-N
XLogP-0.00
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(methylamino)-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 83848024
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159
2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 83682880
1,2-dimethylaziridine;propanoic acid
CID 175486579
(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
2-ethyl-1-methoxycarbonylpyrrolidine-3-carboxylic acid
CID 83848056
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
7-chloro-2-ethyl-1-methyl-3,4-dihydro-2H-1,5-naphthyridine-3-carboxylic acid
CID 129272049
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
5-ethyl-1-methylpyrrolidine-3-carboxylic acid
CID 20810105
2-(ethylamino)cyclopropane-1-carboxylic acid
CID 117027588
1-cyclopropyl-2-ethyl-4-methylpyrrolidine-3-carboxylic acid
CID 83847808

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid (CID 83847027) is 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid is CCC1C(NC)C(C(=O)O)CN1C.
What is the InChIKey of 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is ZQHHDQWNEJEAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-7-8(10-2)6(9(12)13)5-11(7)3/h6-8,10H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid?
5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4-(methylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83847027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).