2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid

C15H16N2O3 — CID 67698372

IUPAC2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ncccc1OCc1ccccc1
InChIInChI=1S/C15H16N2O3/c18-15(19)10-16-9-13-14(7-4-8-17-13)20-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,18,19)
InChIKeyCTMDIWFXPHKJKQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds7

About 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid

2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid (PubChem CID 67698372) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid
PubChem CID67698372
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ncccc1OCc1ccccc1
InChIInChI=1S/C15H16N2O3/c18-15(19)10-16-9-13-14(7-4-8-17-13)20-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,18,19)
InChIKeyCTMDIWFXPHKJKQ-UHFFFAOYSA-N
XLogP1.83
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-3-(3-phenylmethoxy-2-pyridinyl)propanoic acid
CID 90838108
2-[[2-[(3-chlorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66528475
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
2-phenylmethoxybenzoyl chloride
CID 10999355
2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylamino]acetic acid
CID 66527086
methyl 2-[(2-phenylmethoxyphenyl)methylsulfonylmethyl]pyridine-3-carboxylate
CID 134451171
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
ethane;2-(phenylmethoxymethylamino)acetic acid
CID 145078900
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid?
The IUPAC name of 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid (CID 67698372) is 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid?
The canonical SMILES for 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid is O=C(O)CNCc1ncccc1OCc1ccccc1.
What is the InChIKey of 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid?
The InChIKey is CTMDIWFXPHKJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)10-16-9-13-14(7-4-8-17-13)20-11-12-5-2-1-3-6-12/h1-8,16H,9-11H2,(H,18,19).
What are the key properties of 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid?
2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylmethoxy-2-pyridinyl)methylamino]acetic acid is sourced from PubChem (CID 67698372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).