2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid

C14H19NO3 — CID 79848470

IUPAC2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CC3C=CC2C3)CCC1
InChIInChI=1S/C14H19NO3/c16-12(17)8-14(4-1-5-14)15-13(18)11-7-9-2-3-10(11)6-9/h2-3,9-11H,1,4-8H2,(H,15,18)(H,16,17)
InChIKeyYVZXSBJQJOEZAZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.71
Rot. Bonds4

About 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid

2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid (PubChem CID 79848470) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid
PubChem CID79848470
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C2CC3C=CC2C3)CCC1
InChIInChI=1S/C14H19NO3/c16-12(17)8-14(4-1-5-14)15-13(18)11-7-9-2-3-10(11)6-9/h2-3,9-11H,1,4-8H2,(H,15,18)(H,16,17)
InChIKeyYVZXSBJQJOEZAZ-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(aminomethyl)cyclopentyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 63886807
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)acetic acid
CID 24691859
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-[(3-fluorocyclohexanecarbonyl)amino]cyclobutyl]acetic acid
CID 122129354
2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
CID 82917741
2-[1-[(5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
CID 83191868
2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061
2-[1-[[(3S)-piperidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 81133872
4-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-3-methylbutanoic acid
CID 81064143
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
1-[(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440989

Frequently Asked Questions

What is the IUPAC name of 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid (CID 79848470) is 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)C2CC3C=CC2C3)CCC1.
What is the InChIKey of 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid?
The InChIKey is YVZXSBJQJOEZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-12(17)8-14(4-1-5-14)15-13(18)11-7-9-2-3-10(11)6-9/h2-3,9-11H,1,4-8H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid?
2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79848470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).