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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Related Compounds

2-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 64817626
[2-(phthalazin-1-ylamino)cyclohexyl]methanol
CID 106362271
N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
CID 115569585
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
N-(3,3,5,5-tetramethylcyclohexyl)phthalazin-1-amine
CID 103967080
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
N-(7-oxabicyclo[2.2.1]heptan-2-yl)phthalazin-1-amine
CID 80719667
1-methyl-5-(phthalazin-1-ylamino)piperidin-2-one
CID 64669994
N-(cyclopropylmethyl)phthalazin-1-amine
CID 43419855
3-(phthalazin-1-ylamino)propanoic acid
CID 43419849
N-phthalazin-1-yl-1-pyridazin-3-ylpiperidine-4-carboxamide
CID 11609685
2-(phthalazin-1-ylamino)acetamide
CID 43395562

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).