2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid

C8H14N2O2 — CID 67879235

IUPAC2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCNC2
InChIInChI=1S/C8H14N2O2/c9-4-8(6(11)12)3-7(8)1-2-10-5-7/h10H,1-5,9H2,(H,11,12)
InChIKeyHPPIWJZVDUSDPH-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.60
Rot. Bonds2

About 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid

2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid (PubChem CID 67879235) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid
PubChem CID67879235
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCNC2
InChIInChI=1S/C8H14N2O2/c9-4-8(6(11)12)3-7(8)1-2-10-5-7/h10H,1-5,9H2,(H,11,12)
InChIKeyHPPIWJZVDUSDPH-UHFFFAOYSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid (CID 67879235) is 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid is NCC1(C(=O)O)CC12CCNC2.
What is the InChIKey of 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid?
The InChIKey is HPPIWJZVDUSDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-4-8(6(11)12)3-7(8)1-2-10-5-7/h10H,1-5,9H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid?
2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-azaspiro[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 67879235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).