5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid

C13H16N2O3 — CID 91565649

IUPAC5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=C(NOCc2ccccc2)CCC1
InChIInChI=1S/C13H16N2O3/c16-13(17)15-8-4-7-12(9-15)14-18-10-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,16,17)
InChIKeyYUOGGJLTEHCWGN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.32
Rot. Bonds4

About 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid

5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 91565649) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID91565649
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1C=C(NOCc2ccccc2)CCC1
InChIInChI=1S/C13H16N2O3/c16-13(17)15-8-4-7-12(9-15)14-18-10-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,16,17)
InChIKeyYUOGGJLTEHCWGN-UHFFFAOYSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-cyano-4-fluorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91062554
4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 91101532
Benzyl 4-[[(1-oxido-1,2-dihydropyridin-1-ium-4-yl)amino]methyl]piperidine-1-carboxylate
CID 9967936
1-hydroxy-1-[(1S)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea
CID 57048721
3-tert-butyl-5-(phenylmethoxyamino)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 57075119
1-hydroxy-1-[(1R)-3-(phenylmethoxyamino)cyclopenta-2,4-dien-1-yl]urea
CID 57131202
N-[(2R)-2-(hydroxyamino)hexyl]-N-phenylmethoxyformamide
CID 58907941
Tert-butyl-[4-oxo-4-(phenylmethoxyamino)butyl]carbamic acid
CID 86646471
3-(phenylmethoxyamino)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87217552
3-(Phenylmethoxyamino)piperidine-1-carboxylic acid
CID 87217620
Ethyl(phenylmethoxy)carbamic acid
CID 87326753
[4-Oxo-4-(phenylmethoxyamino)butyl]carbamic acid
CID 87501966

Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid (CID 91565649) is 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1C=C(NOCc2ccccc2)CCC1.
What is the InChIKey of 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is YUOGGJLTEHCWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13(17)15-8-4-7-12(9-15)14-18-10-11-5-2-1-3-6-11/h1-3,5-6,9,14H,4,7-8,10H2,(H,16,17).
What are the key properties of 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid?
5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxyamino)-3,4-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 91565649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).