methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate

C13H26N2O2 — CID 79183530

IUPACmethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CC(C)C(C)C1)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-5-6-14-12(13(16)17-4)9-15-7-10(2)11(3)8-15/h10-12,14H,5-9H2,1-4H3
InChIKeyVDRSHLFZDFTZLX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds6

About methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate

methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate (PubChem CID 79183530) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
PubChem CID79183530
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
SMILESCCCNC(CN1CC(C)C(C)C1)C(=O)OC
InChIInChI=1S/C13H26N2O2/c1-5-6-14-12(13(16)17-4)9-15-7-10(2)11(3)8-15/h10-12,14H,5-9H2,1-4H3
InChIKeyVDRSHLFZDFTZLX-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate 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

methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 3-(4-tert-butylpiperidin-1-yl)-2-(propylamino)propanoate
CID 62089886
3-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)propanamide
CID 79183325
methyl 3-(4-butan-2-ylpiperazin-1-yl)-2-(propylamino)propanoate
CID 62773852
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
methyl 2-(propylamino)octanoate
CID 60795997
methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
CID 55144311

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate?
The IUPAC name of methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate (CID 79183530) is methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate is CCCNC(CN1CC(C)C(C)C1)C(=O)OC.
What is the InChIKey of methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate?
The InChIKey is VDRSHLFZDFTZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-6-14-12(13(16)17-4)9-15-7-10(2)11(3)8-15/h10-12,14H,5-9H2,1-4H3.
What are the key properties of methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate?
methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate has a molecular weight of 242.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate is sourced from PubChem (CID 79183530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).