(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid

C19H20N2O3 — CID 166240271

IUPAC(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid
SMILESCc1cccc([C@@H](CC(=O)O)NCc2cc3cnccc3o2)c1C
InChIInChI=1S/C19H20N2O3/c1-12-4-3-5-16(13(12)2)17(9-19(22)23)21-11-15-8-14-10-20-7-6-18(14)24-15/h3-8,10,17,21H,9,11H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyMUQZGRYJERVXFW-QGZVFWFLSA-N
MW324.38 g/mol
LogP3.75
Rot. Bonds6

About (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid

(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid (PubChem CID 166240271) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid
PubChem CID166240271
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid
SMILESCc1cccc([C@@H](CC(=O)O)NCc2cc3cnccc3o2)c1C
InChIInChI=1S/C19H20N2O3/c1-12-4-3-5-16(13(12)2)17(9-19(22)23)21-11-15-8-14-10-20-7-6-18(14)24-15/h3-8,10,17,21H,9,11H2,1-2H3,(H,22,23)/t17-/m1/s1
InChIKeyMUQZGRYJERVXFW-QGZVFWFLSA-N
XLogP3.75
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-acetamido-3-(2,3-dimethylphenyl)propanoic acid
CID 78947603
3-[(4-bromofuran-2-yl)methylamino]-3-(2-methylphenyl)propanoic acid
CID 166226946
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
4-(2,3-dimethylphenyl)-3,4-dihydroxybutanoic acid
CID 171877230
[(2,3-dimethylphenyl)-(3-ethyl-4-pyridinyl)methyl]hydrazine
CID 105262086
3-[(furo[3,2-c]pyridin-2-ylmethylamino)methyl]-1-methylpyrrolidin-3-ol
CID 154842269
2-(2,3-dimethylphenyl)butanedioic acid
CID 70454411
3-[[2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239889
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
bromo-(furo[3,2-c]pyridin-2-ylmethyl)-triphenyl-λ5-phosphane
CID 140535120
2-furo[3,2-c]pyridin-2-ylacetonitrile
CID 14948605

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid?
The IUPAC name of (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid (CID 166240271) is (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid.
What is the SMILES notation for (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid?
The canonical SMILES for (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid is Cc1cccc([C@@H](CC(=O)O)NCc2cc3cnccc3o2)c1C.
What is the InChIKey of (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid?
The InChIKey is MUQZGRYJERVXFW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-4-3-5-16(13(12)2)17(9-19(22)23)21-11-15-8-14-10-20-7-6-18(14)24-15/h3-8,10,17,21H,9,11H2,1-2H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid?
(3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid has a molecular weight of 324.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dimethylphenyl)-3-(furo[3,2-c]pyridin-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 166240271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).