1-(3-aminopropylamino)cyclooctane-1-carboxylic acid

C12H24N2O2 — CID 115000755

IUPAC1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
SMILESNCCCNC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C12H24N2O2/c13-9-6-10-14-12(11(15)16)7-4-2-1-3-5-8-12/h14H,1-10,13H2,(H,15,16)
InChIKeyAONJLYFVFDEEBI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.49
Rot. Bonds5

About 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid

1-(3-aminopropylamino)cyclooctane-1-carboxylic acid (PubChem CID 115000755) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
PubChem CID115000755
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(3-aminopropylamino)cyclooctane-1-carboxylic acid
SMILESNCCCNC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C12H24N2O2/c13-9-6-10-14-12(11(15)16)7-4-2-1-3-5-8-12/h14H,1-10,13H2,(H,15,16)
InChIKeyAONJLYFVFDEEBI-UHFFFAOYSA-N
XLogP1.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropylamino)thiane-4-carboxylic acid
CID 114999238
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-(2-acetamidoethylamino)cyclohexane-1-carboxylic acid
CID 114988533
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
4-(2-aminoethylamino)oxane-4-carboxylic acid
CID 82238938
1-[2-(trifluoromethylsulfanyl)ethylamino]cyclobutane-1-carboxylic acid
CID 116616834
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-(2-methylsulfonylethylamino)cyclopentane-1-carboxylic acid
CID 114992122
1-(3-aminopropylamino)cyclohexane-1-carbaldehyde
CID 88524288
1-(2-azidoethylamino)cyclopentane-1-carboxylic acid
CID 66189809

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid (CID 115000755) is 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid is NCCCNC1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid?
The InChIKey is AONJLYFVFDEEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c13-9-6-10-14-12(11(15)16)7-4-2-1-3-5-8-12/h14H,1-10,13H2,(H,15,16).
What are the key properties of 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid?
1-(3-aminopropylamino)cyclooctane-1-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropylamino)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 115000755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).