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

C13H25N3O2 — CID 79651708

IUPAC1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C2CCC(N)(C(=O)O)C2)CC1(C)C
InChIInChI=1S/C13H25N3O2/c1-12(2)9-16(7-6-15(12)3)10-4-5-13(14,8-10)11(17)18/h10H,4-9,14H2,1-3H3,(H,17,18)
InChIKeyKONHVJCPDMEMDI-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.35
Rot. Bonds2

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

1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 79651708) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID79651708
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
SMILESCN1CCN(C2CCC(N)(C(=O)O)C2)CC1(C)C
InChIInChI=1S/C13H25N3O2/c1-12(2)9-16(7-6-15(12)3)10-4-5-13(14,8-10)11(17)18/h10H,4-9,14H2,1-3H3,(H,17,18)
InChIKeyKONHVJCPDMEMDI-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-(4,4-dimethylazepan-1-yl)cyclopentane-1-carboxylic acid
CID 79651230
1-amino-3-(3,4,5-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114539250
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-(3-azaspiro[5.5]undecan-3-yl)cyclopentane-1-carboxylic acid
CID 79650981
1-amino-3-(4-methylpiperazin-1-yl)cyclopentane-1-carboxamide
CID 79650015
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-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexyl]methanol
CID 79633660
1-amino-3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)cyclohexane-1-carboxylic acid
CID 79642318
1-amino-3-(4-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79641894
1-amino-3-(4-methylazepan-1-yl)cyclohexane-1-carboxylic acid
CID 79642184

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid (CID 79651708) is 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid is CN1CCN(C2CCC(N)(C(=O)O)C2)CC1(C)C.
What is the InChIKey of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is KONHVJCPDMEMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2)9-16(7-6-15(12)3)10-4-5-13(14,8-10)11(17)18/h10H,4-9,14H2,1-3H3,(H,17,18).
What are the key properties of 1-amino-3-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid?
1-amino-3-(3,3,4-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-(3,3,4-trimethylpiperazin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79651708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).