1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

C15H17N3O3 — CID 60933243

IUPAC1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C15H17N3O3/c19-13(8-15(14(20)21)6-1-2-7-15)17-11-4-3-5-12-10(11)9-16-18-12/h3-5,9H,1-2,6-8H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyKYIJIPKLDWJXGH-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60933243) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60933243
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cccc2[nH]ncc12
InChIInChI=1S/C15H17N3O3/c19-13(8-15(14(20)21)6-1-2-7-15)17-11-4-3-5-12-10(11)9-16-18-12/h3-5,9H,1-2,6-8H2,(H,16,18)(H,17,19)(H,20,21)
InChIKeyKYIJIPKLDWJXGH-UHFFFAOYSA-N
XLogP2.54
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60933243) is 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1cccc2[nH]ncc12.
What is the InChIKey of 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is KYIJIPKLDWJXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-13(8-15(14(20)21)6-1-2-7-15)17-11-4-3-5-12-10(11)9-16-18-12/h3-5,9H,1-2,6-8H2,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60933243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).