2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid

C11H11N3O3 — CID 115585626

IUPAC2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
SMILESN#Cc1cc2c(nc1NOCC(=O)O)CCC2
InChIInChI=1S/C11H11N3O3/c12-5-8-4-7-2-1-3-9(7)13-11(8)14-17-6-10(15)16/h4H,1-3,6H2,(H,13,14)(H,15,16)
InChIKeyVJTUDHOPMCECPB-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.87
Rot. Bonds4

About 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid

2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid (PubChem CID 115585626) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
PubChem CID115585626
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid
SMILESN#Cc1cc2c(nc1NOCC(=O)O)CCC2
InChIInChI=1S/C11H11N3O3/c12-5-8-4-7-2-1-3-9(7)13-11(8)14-17-6-10(15)16/h4H,1-3,6H2,(H,13,14)(H,15,16)
InChIKeyVJTUDHOPMCECPB-UHFFFAOYSA-N
XLogP0.87
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-3-methylbutanoic acid
CID 64699609
5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
CID 82845367
1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 81164240
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-[[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]methyl]butanoic acid
CID 65226430
2-[[1-(hydroxymethyl)cyclopentyl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55082442
1-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450488
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)amino]methyl]butanoic acid
CID 65226528
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 79250073
N-[1-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63864550

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid?
The IUPAC name of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid (CID 115585626) is 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid?
The canonical SMILES for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid is N#Cc1cc2c(nc1NOCC(=O)O)CCC2.
What is the InChIKey of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid?
The InChIKey is VJTUDHOPMCECPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-5-8-4-7-2-1-3-9(7)13-11(8)14-17-6-10(15)16/h4H,1-3,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid?
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid has a molecular weight of 233.23 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]oxyacetic acid is sourced from PubChem (CID 115585626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).