4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid

C17H23NO3 — CID 79192975

IUPAC4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H23NO3/c19-15(20)13-1-2-14(6-13)18-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,10-14H,3-9H2,(H,18,21)(H,19,20)
InChIKeyWMAUGMGACCUVMG-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.35
Rot. Bonds3

About 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid

4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79192975) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79192975
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H23NO3/c19-15(20)13-1-2-14(6-13)18-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,10-14H,3-9H2,(H,18,21)(H,19,20)
InChIKeyWMAUGMGACCUVMG-UHFFFAOYSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.35
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

cis-(1S,3R)-3-(adamantane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 120677052
4-[(3,3-dimethylcyclopentyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 114549159
4-[(1-amino-3-ethoxy-2,2-dimethylcyclobutanecarbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 114829523
4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216909
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid
CID 107986819
4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209356
4-(1,3,4-thiadiazol-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216812
4-(4,4,4-trifluorobutanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79208511
4-[4-(adamantane-1-carbonylamino)piperidin-1-yl]benzoic acid
CID 57475024
4-[(2-pyrazol-1-ylacetyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209688
4-[(6-chloropyridine-3-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209667

Frequently Asked Questions

What is the IUPAC name of 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid (CID 79192975) is 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is WMAUGMGACCUVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-15(20)13-1-2-14(6-13)18-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,10-14H,3-9H2,(H,18,21)(H,19,20).
What are the key properties of 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79192975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).