2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid

C14H15NO3 — CID 84750176

IUPAC2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(NCc2ccco2)C(=O)O)c1
InChIInChI=1S/C14H15NO3/c1-10-4-2-5-11(8-10)13(14(16)17)15-9-12-6-3-7-18-12/h2-8,13,15H,9H2,1H3,(H,16,17)
InChIKeyGYFOONSVXGEMHG-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.50
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid

2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid (PubChem CID 84750176) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
PubChem CID84750176
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
SMILESCc1cccc(C(NCc2ccco2)C(=O)O)c1
InChIInChI=1S/C14H15NO3/c1-10-4-2-5-11(8-10)13(14(16)17)15-9-12-6-3-7-18-12/h2-8,13,15H,9H2,1H3,(H,16,17)
InChIKeyGYFOONSVXGEMHG-UHFFFAOYSA-N
XLogP2.50
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 84749415
2-(1,3-benzodioxol-5-yl)-2-(furan-2-ylmethylamino)acetic acid
CID 84748399
2-(3-methylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62352736
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-[3-(diethylamino)propylamino]-2-(3-methylphenyl)acetic acid
CID 84750225
2-[[6-(dimethylamino)-3-pyridinyl]methylamino]-2-(3-methylphenyl)acetic acid
CID 167884017
N-(furan-2-ylmethyl)-1,1-diphenylmethanamine
CID 15830516
(2S)-4-(2,4-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 51402578
2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-2-(3-methylphenyl)acetic acid
CID 166287763
4-(2,5-dimethylanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 4095700

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid?
The IUPAC name of 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid (CID 84750176) is 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid?
The canonical SMILES for 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid is Cc1cccc(C(NCc2ccco2)C(=O)O)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid?
The InChIKey is GYFOONSVXGEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-4-2-5-11(8-10)13(14(16)17)15-9-12-6-3-7-18-12/h2-8,13,15H,9H2,1H3,(H,16,17).
What are the key properties of 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid?
2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid has a molecular weight of 245.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid is sourced from PubChem (CID 84750176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).