2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid

C14H14N2O3 — CID 84746841

IUPAC2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1ccccn1)c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c17-12-6-3-4-10(8-12)13(14(18)19)16-9-11-5-1-2-7-15-11/h1-8,13,16-17H,9H2,(H,18,19)
InChIKeyCNLBLPGAZGLUML-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.70
Rot. Bonds5

About 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid

2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid (PubChem CID 84746841) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid
PubChem CID84746841
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid
SMILESO=C(O)C(NCc1ccccn1)c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c17-12-6-3-4-10(8-12)13(14(18)19)16-9-11-5-1-2-7-15-11/h1-8,13,16-17H,9H2,(H,18,19)
InChIKeyCNLBLPGAZGLUML-UHFFFAOYSA-N
XLogP1.70
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-(pyrimidin-4-ylmethylamino)acetic acid
CID 62749098
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 84746836
(2R)-N-cyclopropyl-2-phenyl-2-(pyridin-2-ylmethylamino)acetamide
CID 51643345
2-(2-acetamidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 84746870
methyl 3-phenyl-3-(pyridin-2-ylmethylamino)propanoate
CID 139997097
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 66190099
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
(2R)-2-(3-hydroxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 11086585
2-methylsulfonyl-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 75443632

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid (CID 84746841) is 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid is O=C(O)C(NCc1ccccn1)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid?
The InChIKey is CNLBLPGAZGLUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12-6-3-4-10(8-12)13(14(18)19)16-9-11-5-1-2-7-15-11/h1-8,13,16-17H,9H2,(H,18,19).
What are the key properties of 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid?
2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid is sourced from PubChem (CID 84746841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).