3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid

C13H25N3O2 — CID 65419671

IUPAC3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)(N2CCN(C)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(2)15-5-4-13(10-15,12(17)18)16-8-6-14(3)7-9-16/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyLVXKJBURZSVEQQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.17
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid

3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 65419671) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID65419671
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)(N2CCN(C)CC2)C1
InChIInChI=1S/C13H25N3O2/c1-11(2)15-5-4-13(10-15,12(17)18)16-8-6-14(3)7-9-16/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyLVXKJBURZSVEQQ-UHFFFAOYSA-N
XLogP0.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65420100
1-methyl-4-(4-methylpiperazin-1-yl)azepane-4-carboxylic acid
CID 65420767
1-ethyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65421201
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
3-fluoro-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 115014441
4-(4-methyl-1,4-diazepan-1-yl)oxane-4-carboxylic acid
CID 114991651
3-(4-methylpiperazin-1-yl)-1,1-dioxothiane-3-carboxylic acid
CID 63911066
3-(azetidin-1-yl)-1-methylazetidine-3-carboxylic acid
CID 105434455
2,2-dimethyl-4-(4-methylpiperazin-1-yl)oxane-4-carboxylic acid
CID 65422707
1-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 65419678
3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 65419883

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 65419671) is 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1CCC(C(=O)O)(N2CCN(C)CC2)C1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is LVXKJBURZSVEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2)15-5-4-13(10-15,12(17)18)16-8-6-14(3)7-9-16/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65419671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).