2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid

C16H17NO3 — CID 84746836

IUPAC2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
SMILESCc1ccc(CNC(C(=O)O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-11-5-7-12(8-6-11)10-17-15(16(19)20)13-3-2-4-14(18)9-13/h2-9,15,17-18H,10H2,1H3,(H,19,20)
InChIKeyMNVXSYJTQRNYGZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.62
Rot. Bonds5

About 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid

2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid (PubChem CID 84746836) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
PubChem CID84746836
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
SMILESCc1ccc(CNC(C(=O)O)c2cccc(O)c2)cc1
InChIInChI=1S/C16H17NO3/c1-11-5-7-12(8-6-11)10-17-15(16(19)20)13-3-2-4-14(18)9-13/h2-9,15,17-18H,10H2,1H3,(H,19,20)
InChIKeyMNVXSYJTQRNYGZ-UHFFFAOYSA-N
XLogP2.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
2-(3-hydroxyphenyl)-2-(pyridin-2-ylmethylamino)acetic acid
CID 84746841
2-(2-acetamidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 84746870
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(3-methylphenyl)acetic acid
CID 167884017
2-(benzylamino)-2-(3-chloro-4-methylphenyl)acetic acid
CID 106817664
2-(3-azidopropylamino)-2-(3-hydroxyphenyl)acetic acid
CID 66190099
4-[[1-(3-hydroxyphenyl)ethylamino]methyl]benzamide
CID 43791628
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]-2-phenylacetamide
CID 7928830

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
The IUPAC name of 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid (CID 84746836) is 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid is Cc1ccc(CNC(C(=O)O)c2cccc(O)c2)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
The InChIKey is MNVXSYJTQRNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-5-7-12(8-6-11)10-17-15(16(19)20)13-3-2-4-14(18)9-13/h2-9,15,17-18H,10H2,1H3,(H,19,20).
What are the key properties of 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid is sourced from PubChem (CID 84746836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).