3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid

C14H15N3O2 — CID 66030980

IUPAC3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2nncc3ccccc23)C1
InChIInChI=1S/C14H15N3O2/c18-14(19)9-5-6-11(7-9)16-13-12-4-2-1-3-10(12)8-15-17-13/h1-4,8-9,11H,5-7H2,(H,16,17)(H,18,19)
InChIKeyOFASFISSMFIRJG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.30
Rot. Bonds3

About 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid

3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030980) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
PubChem CID66030980
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2nncc3ccccc23)C1
InChIInChI=1S/C14H15N3O2/c18-14(19)9-5-6-11(7-9)16-13-12-4-2-1-3-10(12)8-15-17-13/h1-4,8-9,11H,5-7H2,(H,16,17)(H,18,19)
InChIKeyOFASFISSMFIRJG-UHFFFAOYSA-N
XLogP2.30
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid (CID 66030980) is 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(Nc2nncc3ccccc23)C1.
What is the InChIKey of 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is OFASFISSMFIRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)9-5-6-11(7-9)16-13-12-4-2-1-3-10(12)8-15-17-13/h1-4,8-9,11H,5-7H2,(H,16,17)(H,18,19).
What are the key properties of 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid?
3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).