2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid

C10H17NO2 — CID 59780095

IUPAC2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid
SMILESC=C1CCC(CN)(CC(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-8-2-4-10(7-11,5-3-8)6-9(12)13/h1-7,11H2,(H,12,13)
InChIKeyOLOCQEUEYCTXRO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.54
Rot. Bonds3

About 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid

2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid (PubChem CID 59780095) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid
PubChem CID59780095
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid
SMILESC=C1CCC(CN)(CC(=O)O)CC1
InChIInChI=1S/C10H17NO2/c1-8-2-4-10(7-11,5-3-8)6-9(12)13/h1-7,11H2,(H,12,13)
InChIKeyOLOCQEUEYCTXRO-UHFFFAOYSA-N
XLogP1.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid (CID 59780095) is 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid is C=C1CCC(CN)(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid?
The InChIKey is OLOCQEUEYCTXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-2-4-10(7-11,5-3-8)6-9(12)13/h1-7,11H2,(H,12,13).
What are the key properties of 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid?
2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4-methylidenecyclohexyl]acetic acid is sourced from PubChem (CID 59780095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).