1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid

C15H17N3O2 — CID 61291976

IUPAC1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nnc(NC2(C(=O)O)CCCC2)c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-10-11-6-2-3-7-12(11)13(18-17-10)16-15(14(19)20)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyKRENIBGXHZNIQP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.75
Rot. Bonds3

About 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid

1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 61291976) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID61291976
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nnc(NC2(C(=O)O)CCCC2)c2ccccc12
InChIInChI=1S/C15H17N3O2/c1-10-11-6-2-3-7-12(11)13(18-17-10)16-15(14(19)20)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyKRENIBGXHZNIQP-UHFFFAOYSA-N
XLogP2.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphthalazin-1-yl)amino]acetic acid
CID 43419809
methyl 2-[(4-methylphthalazin-1-yl)amino]acetate
CID 43419766
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
3-methyl-2-[[(4-methylphthalazin-1-yl)amino]methyl]butanoic acid
CID 65226715
1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 114598246
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 61291221
1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 55249156
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-methylphthalazin-1-amine
CID 114759162
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
1-(pyrimidin-2-ylamino)cycloheptane-1-carboxylic acid
CID 61291427

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid (CID 61291976) is 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid is Cc1nnc(NC2(C(=O)O)CCCC2)c2ccccc12.
What is the InChIKey of 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KRENIBGXHZNIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-11-6-2-3-7-12(11)13(18-17-10)16-15(14(19)20)8-4-5-9-15/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid?
1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphthalazin-1-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61291976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).