2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid

C15H17NO2 — CID 62108990

IUPAC2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
SMILESO=C(O)C(NC1CC2CC=CC21)c1ccccc1
InChIInChI=1S/C15H17NO2/c17-15(18)14(10-5-2-1-3-6-10)16-13-9-11-7-4-8-12(11)13/h1-6,8,11-14,16H,7,9H2,(H,17,18)
InChIKeyQHUXIJRXLHDQMW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds4

About 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid

2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid (PubChem CID 62108990) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
PubChem CID62108990
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid
SMILESO=C(O)C(NC1CC2CC=CC21)c1ccccc1
InChIInChI=1S/C15H17NO2/c17-15(18)14(10-5-2-1-3-6-10)16-13-9-11-7-4-8-12(11)13/h1-6,8,11-14,16H,7,9H2,(H,17,18)
InChIKeyQHUXIJRXLHDQMW-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
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

N-[cyclopropyl(phenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43233472
N-(2,2-dimethyl-1-phenylpropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43783255
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
CID 62110993
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
2-(cyclohex-3-en-1-ylamino)-2-phenylacetic acid
CID 103255305
N-[(1S)-1-(3-chlorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81371686
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
N-[(1R)-1-(4-fluorophenyl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81348288
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
CID 106662453
2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
CID 43789787
6-[[carboxy(phenyl)methyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 5082328

Frequently Asked Questions

What is the IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid?
The IUPAC name of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid (CID 62108990) is 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid is O=C(O)C(NC1CC2CC=CC21)c1ccccc1.
What is the InChIKey of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid?
The InChIKey is QHUXIJRXLHDQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c17-15(18)14(10-5-2-1-3-6-10)16-13-9-11-7-4-8-12(11)13/h1-6,8,11-14,16H,7,9H2,(H,17,18).
What are the key properties of 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid?
2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid has a molecular weight of 243.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bicyclo[3.2.0]hept-3-enylamino)-2-phenylacetic acid is sourced from PubChem (CID 62108990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).