2-[1-(aminomethyl)cycloheptyl]acetic acid

C10H19NO2 — CID 6454647

IUPAC2-[1-(aminomethyl)cycloheptyl]acetic acid
SMILESNCC1(CC(=O)O)CCCCCC1
InChIInChI=1S/C10H19NO2/c11-8-10(7-9(12)13)5-3-1-2-4-6-10/h1-8,11H2,(H,12,13)
InChIKeyMXNASYICBPHSLF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.76
Rot. Bonds3

About 2-[1-(aminomethyl)cycloheptyl]acetic acid

2-[1-(aminomethyl)cycloheptyl]acetic acid (PubChem CID 6454647) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)cycloheptyl]acetic acid
PubChem CID6454647
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[1-(aminomethyl)cycloheptyl]acetic acid
SMILESNCC1(CC(=O)O)CCCCCC1
InChIInChI=1S/C10H19NO2/c11-8-10(7-9(12)13)5-3-1-2-4-6-10/h1-8,11H2,(H,12,13)
InChIKeyMXNASYICBPHSLF-UHFFFAOYSA-N
XLogP1.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cycloheptyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)cycloheptyl]acetic acid (CID 6454647) is 2-[1-(aminomethyl)cycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)cycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)cycloheptyl]acetic acid is NCC1(CC(=O)O)CCCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cycloheptyl]acetic acid?
The InChIKey is MXNASYICBPHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-8-10(7-9(12)13)5-3-1-2-4-6-10/h1-8,11H2,(H,12,13).
What are the key properties of 2-[1-(aminomethyl)cycloheptyl]acetic acid?
2-[1-(aminomethyl)cycloheptyl]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cycloheptyl]acetic acid is sourced from PubChem (CID 6454647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).