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

C10H17NO2 — CID 137424386

IUPAC2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.CC(N)C(=O)O
InChIInChI=1S/C7H10.C3H7NO2/c1-2-7-4-3-6(1)5-7;1-2(4)3(5)6/h1-2,6-7H,3-5H2;2H,4H2,1H3,(H,5,6)
InChIKeyPMXRFVXNWLAFBC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.39
Rot. Bonds1

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

2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene (PubChem CID 137424386) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
PubChem CID137424386
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CCC1C2.CC(N)C(=O)O
InChIInChI=1S/C7H10.C3H7NO2/c1-2-7-4-3-6(1)5-7;1-2(4)3(5)6/h1-2,6-7H,3-5H2;2H,4H2,1H3,(H,5,6)
InChIKeyPMXRFVXNWLAFBC-UHFFFAOYSA-N
XLogP1.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.39
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-amino-4-methylpentanoic acid;bicyclo[2.2.1]hept-2-ene
CID 137424283
bicyclo[2.2.1]hept-2-ene;2-methylpentanoic acid
CID 67047715
2-aminoacetic acid;bicyclo[2.2.1]hept-2-ene
CID 137424303
(2S)-2-aminopropanoic acid
CID 18446182
(2R)-2-aminopropanoic acid
CID 18611140
(2S)-2-aminopropanoic acid
CID 5950
2-aminopropanoic acid;benzene;iron
CID 174869891
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene (CID 137424386) is 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene is C1=CC2CCC1C2.CC(N)C(=O)O.
What is the InChIKey of 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene?
The InChIKey is PMXRFVXNWLAFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C3H7NO2/c1-2-7-4-3-6(1)5-7;1-2(4)3(5)6/h1-2,6-7H,3-5H2;2H,4H2,1H3,(H,5,6).
What are the key properties of 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene?
2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene has a molecular weight of 183.25 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 137424386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).