2-[2-aminoethyl(cycloheptyl)amino]acetic acid

C11H22N2O2 — CID 117013481

IUPAC2-[2-aminoethyl(cycloheptyl)amino]acetic acid
SMILESNCCN(CC(=O)O)C1CCCCCC1
InChIInChI=1S/C11H22N2O2/c12-7-8-13(9-11(14)15)10-5-3-1-2-4-6-10/h10H,1-9,12H2,(H,14,15)
InChIKeyKWZHGGIKSBISOS-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds5

About 2-[2-aminoethyl(cycloheptyl)amino]acetic acid

2-[2-aminoethyl(cycloheptyl)amino]acetic acid (PubChem CID 117013481) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[2-aminoethyl(cycloheptyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-aminoethyl(cycloheptyl)amino]acetic acid
PubChem CID117013481
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[2-aminoethyl(cycloheptyl)amino]acetic acid
SMILESNCCN(CC(=O)O)C1CCCCCC1
InChIInChI=1S/C11H22N2O2/c12-7-8-13(9-11(14)15)10-5-3-1-2-4-6-10/h10H,1-9,12H2,(H,14,15)
InChIKeyKWZHGGIKSBISOS-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[2-aminoethyl(cyclohexyl)amino]-N,N-diethylacetamide
CID 63760461
2-[2-aminoethyl(cyclobutyl)amino]-N-cycloheptylacetamide
CID 102875096
2-[2-aminoethyl(cyclopropyl)amino]-N-cycloheptylacetamide
CID 62548939
2-[cyclopentyl(cyclopentylmethyl)amino]acetic acid
CID 61342644
2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
2-[2-aminoethyl(cyclohexyl)amino]-N-pentan-3-ylacetamide
CID 63760267
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
N-(2-aminoethyl)-N-cyclopentylcyclohexanecarboxamide
CID 63754803
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
2-[cyclopentyl(2-methylpropyl)amino]acetic acid
CID 60835237

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(cycloheptyl)amino]acetic acid?
The IUPAC name of 2-[2-aminoethyl(cycloheptyl)amino]acetic acid (CID 117013481) is 2-[2-aminoethyl(cycloheptyl)amino]acetic acid.
What is the SMILES notation for 2-[2-aminoethyl(cycloheptyl)amino]acetic acid?
The canonical SMILES for 2-[2-aminoethyl(cycloheptyl)amino]acetic acid is NCCN(CC(=O)O)C1CCCCCC1.
What is the InChIKey of 2-[2-aminoethyl(cycloheptyl)amino]acetic acid?
The InChIKey is KWZHGGIKSBISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c12-7-8-13(9-11(14)15)10-5-3-1-2-4-6-10/h10H,1-9,12H2,(H,14,15).
What are the key properties of 2-[2-aminoethyl(cycloheptyl)amino]acetic acid?
2-[2-aminoethyl(cycloheptyl)amino]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(cycloheptyl)amino]acetic acid is sourced from PubChem (CID 117013481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).