2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid

C14H19NO5 — CID 59169472

IUPAC2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid
SMILESC=CC1CC1(NC(=O)C1CC(O)CC1C(=O)O)C(C)=O
InChIInChI=1S/C14H19NO5/c1-3-8-6-14(8,7(2)16)15-12(18)10-4-9(17)5-11(10)13(19)20/h3,8-11,17H,1,4-6H2,2H3,(H,15,18)(H,19,20)
InChIKeyPJXUVUNEMPVHTA-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.11
Rot. Bonds5

About 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid

2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid (PubChem CID 59169472) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid
PubChem CID59169472
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid
SMILESC=CC1CC1(NC(=O)C1CC(O)CC1C(=O)O)C(C)=O
InChIInChI=1S/C14H19NO5/c1-3-8-6-14(8,7(2)16)15-12(18)10-4-9(17)5-11(10)13(19)20/h3,8-11,17H,1,4-6H2,2H3,(H,15,18)(H,19,20)
InChIKeyPJXUVUNEMPVHTA-UHFFFAOYSA-N
XLogP0.11
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid (CID 59169472) is 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid is C=CC1CC1(NC(=O)C1CC(O)CC1C(=O)O)C(C)=O.
What is the InChIKey of 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid?
The InChIKey is PJXUVUNEMPVHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-3-8-6-14(8,7(2)16)15-12(18)10-4-9(17)5-11(10)13(19)20/h3,8-11,17H,1,4-6H2,2H3,(H,15,18)(H,19,20).
What are the key properties of 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid?
2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetyl-2-ethenylcyclopropyl)carbamoyl]-4-hydroxycyclopentane-1-carboxylic acid is sourced from PubChem (CID 59169472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).