2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid

C13H15N3O3 — CID 143311050

IUPAC2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)C1=C(N)CC(c2cccnc2OC)C1
InChIInChI=1S/C13H15N3O3/c1-19-12-8(3-2-4-16-12)7-5-9(10(14)6-7)11(15)13(17)18/h2-4,7,15H,5-6,14H2,1H3,(H,17,18)/b15-11-
InChIKeyFHVLDBXQXDHFRD-PTNGSMBKSA-N
MW261.28 g/mol
LogP1.28
Rot. Bonds4

About 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid

2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid (PubChem CID 143311050) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid.

Molecular Properties

Compound Name2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid
PubChem CID143311050
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)C1=C(N)CC(c2cccnc2OC)C1
InChIInChI=1S/C13H15N3O3/c1-19-12-8(3-2-4-16-12)7-5-9(10(14)6-7)11(15)13(17)18/h2-4,7,15H,5-6,14H2,1H3,(H,17,18)/b15-11-
InChIKeyFHVLDBXQXDHFRD-PTNGSMBKSA-N
XLogP1.28
TPSA109.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-methoxy-3-pyridinyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
CID 12003491
ethyl (4R)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318452
diethyl 4-(2-methoxy-3-pyridinyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 51058185
4-hydroxy-1-(2-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168702386
(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
CID 22363173
ethyl [4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]-2,6-dimethylpiperidin-1-yl] carbonate
CID 153377411
1-(2-methoxy-3-pyridinyl)piperidin-4-ol
CID 172613587
N-[(1S,2R)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307617
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 95133953
N-[(1S,2S)-2-(2-methoxyphenyl)cyclopropyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 95307616
2,3-dihydro-1H-indol-3-yl-(3-methoxy-2-pyridinyl)methanone
CID 114054329
2-methoxypyridin-3-ol;hydrate
CID 132769884

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid?
The IUPAC name of 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid (CID 143311050) is 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid.
What is the SMILES notation for 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid?
The canonical SMILES for 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid is [H]/N=C(\C(=O)O)C1=C(N)CC(c2cccnc2OC)C1.
What is the InChIKey of 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid?
The InChIKey is FHVLDBXQXDHFRD-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-19-12-8(3-2-4-16-12)7-5-9(10(14)6-7)11(15)13(17)18/h2-4,7,15H,5-6,14H2,1H3,(H,17,18)/b15-11-.
What are the key properties of 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid?
2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid has a molecular weight of 261.28 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(2-methoxy-3-pyridinyl)cyclopenten-1-yl]-2-iminoacetic acid is sourced from PubChem (CID 143311050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).