2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid

C15H16N2O3 — CID 63984337

IUPAC2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c1-20-14-9-5-6-12(16-14)10-17(11-15(18)19)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFKVQYWOUKRSUHI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.18
Rot. Bonds6

About 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid

2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid (PubChem CID 63984337) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
PubChem CID63984337
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)c2ccccc2)n1
InChIInChI=1S/C15H16N2O3/c1-20-14-9-5-6-12(16-14)10-17(11-15(18)19)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyFKVQYWOUKRSUHI-UHFFFAOYSA-N
XLogP2.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-[(6-methoxy-2-pyridinyl)methyl]amino]acetic acid
CID 79268653
methyl 2-[(6-methoxy-2-pyridinyl)methyl-methylamino]acetate
CID 63984543
3-[ethyl-[(6-methoxy-2-pyridinyl)methyl]amino]butanoic acid
CID 63986715
2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
3-(6-methoxy-2-pyridinyl)-2-phenylpropanoic acid
CID 79424872
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675
N-[(6-methoxy-2-pyridinyl)methyl]-N-methylpent-4-enamide
CID 99827590
2-(N-(3-methoxy-3-oxopropyl)anilino)acetic acid
CID 71150881
N'-[(6-methoxy-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 63984704

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid (CID 63984337) is 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid is COc1cccc(CN(CC(=O)O)c2ccccc2)n1.
What is the InChIKey of 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid?
The InChIKey is FKVQYWOUKRSUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-14-9-5-6-12(16-14)10-17(11-15(18)19)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid?
2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(6-methoxy-2-pyridinyl)methyl]anilino]acetic acid is sourced from PubChem (CID 63984337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).