2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid

C15H17NO4 — CID 166253361

IUPAC2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid
SMILESCOc1ccc(C(NCc2ccoc2C)C(=O)O)cc1
InChIInChI=1S/C15H17NO4/c1-10-12(7-8-20-10)9-16-14(15(17)18)11-3-5-13(19-2)6-4-11/h3-8,14,16H,9H2,1-2H3,(H,17,18)
InChIKeyMLROGCOTPCBYFB-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.51
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid

2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid (PubChem CID 166253361) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid
PubChem CID166253361
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid
SMILESCOc1ccc(C(NCc2ccoc2C)C(=O)O)cc1
InChIInChI=1S/C15H17NO4/c1-10-12(7-8-20-10)9-16-14(15(17)18)11-3-5-13(19-2)6-4-11/h3-8,14,16H,9H2,1-2H3,(H,17,18)
InChIKeyMLROGCOTPCBYFB-UHFFFAOYSA-N
XLogP2.51
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-(2-hydroxyethylamino)-2-(4-methoxyphenyl)acetic acid
CID 82027139
2-methoxy-5-[(1S)-1-[(2-methylfuran-3-yl)methylamino]ethyl]benzoic acid
CID 166267884
methyl 3-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]furan-2-carboxylate
CID 81367682
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
2-(1-hydroxybutan-2-ylamino)-2-(4-methoxyphenyl)acetic acid
CID 82344775
2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 84747421
2-[(1-benzyl-5-methoxyindol-3-yl)methylamino]-2-phenylacetic acid
CID 19796681
2-(2,3-dimethylpentanoylamino)-2-(4-methoxyphenyl)acetic acid
CID 120530355
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid?
The IUPAC name of 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid (CID 166253361) is 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid is COc1ccc(C(NCc2ccoc2C)C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid?
The InChIKey is MLROGCOTPCBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-12(7-8-20-10)9-16-14(15(17)18)11-3-5-13(19-2)6-4-11/h3-8,14,16H,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid?
2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[(2-methylfuran-3-yl)methylamino]acetic acid is sourced from PubChem (CID 166253361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).