1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid

C12H22N2O2 — CID 79654844

IUPAC1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(N2CCC(C)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-4-6-14(8-9)10-3-5-12(7-10,13-2)11(15)16/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyNMVGHANBZGZUJV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds3

About 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid

1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79654844) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79654844
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCNC1(C(=O)O)CCC(N2CCC(C)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-4-6-14(8-9)10-3-5-12(7-10,13-2)11(15)16/h9-10,13H,3-8H2,1-2H3,(H,15,16)
InChIKeyNMVGHANBZGZUJV-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-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

3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651776
3-(4-tert-butylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651757
3-(4-ethylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649771
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
1-(methylamino)-3-(3-propoxypiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651259
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(methylamino)cyclohexane-1-carboxylic acid
CID 113336096
1-(ethylamino)-3-(3-methoxy-4-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 102966325

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid (CID 79654844) is 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid is CNC1(C(=O)O)CCC(N2CCC(C)C2)C1.
What is the InChIKey of 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is NMVGHANBZGZUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-4-6-14(8-9)10-3-5-12(7-10,13-2)11(15)16/h9-10,13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid?
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 226.32 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79654844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).