2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid

C8H11NO3 — CID 85377571

IUPAC2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESNC1(C(=O)O)C2C=CC(C2)C1O
InChIInChI=1S/C8H11NO3/c9-8(7(11)12)5-2-1-4(3-5)6(8)10/h1-2,4-6,10H,3,9H2,(H,11,12)
InChIKeyMHUPJEZHCXSNAU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.66
Rot. Bonds1

About 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid

2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid (PubChem CID 85377571) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
PubChem CID85377571
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SMILESNC1(C(=O)O)C2C=CC(C2)C1O
InChIInChI=1S/C8H11NO3/c9-8(7(11)12)5-2-1-4(3-5)6(8)10/h1-2,4-6,10H,3,9H2,(H,11,12)
InChIKeyMHUPJEZHCXSNAU-UHFFFAOYSA-N
XLogP-0.66
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 10754708
(2R)-2-(aminomethyl)tricyclo[3.2.1.02,4]oct-6-ene-3-carboxylic acid
CID 110172348
(1R,2S,3S,4S)-2-chlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 130883146
(1R,2S,3S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
CID 98532182
(1R,2R,6R,7S)-5-oxotricyclo[5.2.1.02,6]dec-8-ene-2-carboxylic acid
CID 10921361
(1S,2R,4R)-3,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51411750
(2S,3R)-3-(hydroxymethyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130884529
tricyclo[5.2.1.02,6]deca-3,8-diene-2-carboxylic acid
CID 90074838
(1R,3R,6S,7S)-6-(hydroxymethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 100922080
3-(2-adamantyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid;1,2,3,3,4,4-hexafluorocyclobutene
CID 87997145
(1S,2R,3R,4R)-2-benzamido-3-ethoxycarbonyloxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 101129508
3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carbonyl chloride
CID 19102317

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The IUPAC name of 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CID 85377571) is 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
What is the SMILES notation for 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The canonical SMILES for 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid is NC1(C(=O)O)C2C=CC(C2)C1O.
What is the InChIKey of 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The InChIKey is MHUPJEZHCXSNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c9-8(7(11)12)5-2-1-4(3-5)6(8)10/h1-2,4-6,10H,3,9H2,(H,11,12).
What are the key properties of 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid has a molecular weight of 169.18 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid is sourced from PubChem (CID 85377571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).