1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid

C13H25N3O2 — CID 114539250

IUPAC1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C2CCC(N)(C(=O)O)C2)CC(C)N1C
InChIInChI=1S/C13H25N3O2/c1-9-7-16(8-10(2)15(9)3)11-4-5-13(14,6-11)12(17)18/h9-11H,4-8,14H2,1-3H3,(H,17,18)
InChIKeyOTRFDAHOIPYMFJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.35
Rot. Bonds2

About 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid

1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 114539250) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID114539250
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C2CCC(N)(C(=O)O)C2)CC(C)N1C
InChIInChI=1S/C13H25N3O2/c1-9-7-16(8-10(2)15(9)3)11-4-5-13(14,6-11)12(17)18/h9-11H,4-8,14H2,1-3H3,(H,17,18)
InChIKeyOTRFDAHOIPYMFJ-UHFFFAOYSA-N
XLogP0.35
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(4-cyclopentylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650906
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79651708
1-amino-3-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
1-amino-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81199939
1-amino-3-(4-ethyl-3-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650855
1-amino-3-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981
1-amino-3-(2-propan-2-ylimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 79650812
1-amino-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxylic acid
CID 79641590
1-amino-3-(4,4-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79642103
1-amino-3-(4-cyclopropylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 79641627
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184
1-amino-3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxylic acid
CID 79654790

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 114539250) is 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CC1CN(C2CCC(N)(C(=O)O)C2)CC(C)N1C.
What is the InChIKey of 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is OTRFDAHOIPYMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9-7-16(8-10(2)15(9)3)11-4-5-13(14,6-11)12(17)18/h9-11H,4-8,14H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114539250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).