2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol

C12H24N2O3 — CID 103540837

IUPAC2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol
SMILESCOC1CN(CC(N)(CO)C2CC2)CC1OC
InChIInChI=1S/C12H24N2O3/c1-16-10-5-14(6-11(10)17-2)7-12(13,8-15)9-3-4-9/h9-11,15H,3-8,13H2,1-2H3
InChIKeyMIURGSDAPCOCOH-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.57
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol

2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol (PubChem CID 103540837) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol
PubChem CID103540837
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol
SMILESCOC1CN(CC(N)(CO)C2CC2)CC1OC
InChIInChI=1S/C12H24N2O3/c1-16-10-5-14(6-11(10)17-2)7-12(13,8-15)9-3-4-9/h9-11,15H,3-8,13H2,1-2H3
InChIKeyMIURGSDAPCOCOH-UHFFFAOYSA-N
XLogP-0.57
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol 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

2-Amino-2-cyclopropyl-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-1-ol
CID 64787831
2-Amino-2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788972
2-Amino-2-cyclopropyl-3-[2-ethoxyethyl(ethyl)amino]propan-1-ol
CID 64789165
2-Amino-2-cyclopropyl-3-(2,2,6-trimethylmorpholin-4-yl)propan-1-ol
CID 64789768
2-Cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)-2-(propylamino)propan-1-ol
CID 64790278
2-Amino-2-cyclopropyl-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-ol
CID 64791299
2-Amino-2-cyclopropyl-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 64791359
2-Cyclopropyl-2-(methylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 64791682
2-Amino-2-cyclopropyl-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 64791683
2-Cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)-2-(methylamino)propan-1-ol
CID 64791687
2-Amino-2-cyclopropyl-3-(2,2-dimethylpyrrolidin-1-yl)propan-1-ol
CID 64791688
2-Amino-2-cyclopropyl-3-[3-methoxypropyl(methyl)amino]propan-1-ol
CID 64791880

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol (CID 103540837) is 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol is COC1CN(CC(N)(CO)C2CC2)CC1OC.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol?
The InChIKey is MIURGSDAPCOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-16-10-5-14(6-11(10)17-2)7-12(13,8-15)9-3-4-9/h9-11,15H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol?
2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol has a molecular weight of 244.33 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 103540837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).