2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene

C9H15NO2 — CID 137424303

IUPAC2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.NCC(=O)O
InChIInChI=1S/C7H10.C2H5NO2/c1-2-7-4-3-6(1)5-7;3-1-2(4)5/h1-2,6-7H,3-5H2;1,3H2,(H,4,5)
InChIKeyKSPUEJYBGALWFV-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.00
Rot. Bonds1

About 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene

2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene (PubChem CID 137424303) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene
PubChem CID137424303
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.NCC(=O)O
InChIInChI=1S/C7H10.C2H5NO2/c1-2-7-4-3-6(1)5-7;3-1-2(4)5/h1-2,6-7H,3-5H2;1,3H2,(H,4,5)
InChIKeyKSPUEJYBGALWFV-UHFFFAOYSA-N
XLogP1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
CID 137424386
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
acetic acid;bis(bicyclo[2.2.1]hept-2-ene);ethane;ethanol;methane
CID 145124332
2-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene
CID 137424283
aminophosphonous acid;bicyclo[2.2.1]hept-2-ene
CID 67327267
2-aminoacetic acid;methylcyclopropane
CID 153395802
bicyclo[2.2.1]hept-2-ene;2-methoxyethyl acetate
CID 66605117
2-aminoacetic acid;pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 174758101
bicyclo[2.2.1]hept-2-ene;2-methylpentanoic acid
CID 67047715
bis(2-aminoacetic acid);copper
CID 50912486
2-aminoacetic acid;cadmium
CID 87269769
(2-aminoacetic acid);carbonic acid
CID 173312624

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene (CID 137424303) is 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene is C1=CC2CCC1C2.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene?
The InChIKey is KSPUEJYBGALWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C2H5NO2/c1-2-7-4-3-6(1)5-7;3-1-2(4)5/h1-2,6-7H,3-5H2;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene?
2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene has a molecular weight of 169.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 137424303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).