4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid

C19H24N2O4 — CID 175145821

IUPAC4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
SMILESO=C(CCCCCCn1c2c(c3ccccc31)CC(C(=O)O)C2)NO
InChIInChI=1S/C19H24N2O4/c22-18(20-25)9-3-1-2-6-10-21-16-8-5-4-7-14(16)15-11-13(19(23)24)12-17(15)21/h4-5,7-8,13,25H,1-3,6,9-12H2,(H,20,22)(H,23,24)
InChIKeyDWFQGTJLYXFVAW-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.90
Rot. Bonds8

About 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid

4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid (PubChem CID 175145821) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
PubChem CID175145821
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
SMILESO=C(CCCCCCn1c2c(c3ccccc31)CC(C(=O)O)C2)NO
InChIInChI=1S/C19H24N2O4/c22-18(20-25)9-3-1-2-6-10-21-16-8-5-4-7-14(16)15-11-13(19(23)24)12-17(15)21/h4-5,7-8,13,25H,1-3,6,9-12H2,(H,20,22)(H,23,24)
InChIKeyDWFQGTJLYXFVAW-UHFFFAOYSA-N
XLogP2.90
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
The IUPAC name of 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid (CID 175145821) is 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid.
What is the SMILES notation for 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
The canonical SMILES for 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid is O=C(CCCCCCn1c2c(c3ccccc31)CC(C(=O)O)C2)NO.
What is the InChIKey of 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
The InChIKey is DWFQGTJLYXFVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-18(20-25)9-3-1-2-6-10-21-16-8-5-4-7-14(16)15-11-13(19(23)24)12-17(15)21/h4-5,7-8,13,25H,1-3,6,9-12H2,(H,20,22)(H,23,24).
What are the key properties of 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid?
4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid has a molecular weight of 344.41 g/mol, XLogP of 2.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid is sourced from PubChem (CID 175145821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).