(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid

C21H19NO4 — CID 2235057

IUPAC(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C21H19NO4/c23-19(24)14-17(18-12-7-13-26-18)22-21(25)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,20H,14H2,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyJKXCYTYNXQEUPJ-QGZVFWFLSA-N
MW349.39 g/mol
LogP3.74
Rot. Bonds7

About (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid

(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid (PubChem CID 2235057) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
PubChem CID2235057
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/C21H19NO4/c23-19(24)14-17(18-12-7-13-26-18)22-21(25)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,20H,14H2,(H,22,25)(H,23,24)/t17-/m1/s1
InChIKeyJKXCYTYNXQEUPJ-QGZVFWFLSA-N
XLogP3.74
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-3-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]propanoic acid
CID 59752804
(3R)-3-(butylsulfanylcarbonylamino)-3-(furan-2-yl)propanoic acid
CID 143634398
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
2,2-diphenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 57190770
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492
(3S)-3-(furan-2-yl)-3-phenylpropanehydrazide
CID 42535403
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2,2-diphenylacetamide;hydrochloride
CID 52984942
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2,2-diphenylacetamide
CID 2470246
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
[furan-2-yl(phenyl)methyl]urea
CID 14906081
3-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 61159315

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid?
The IUPAC name of (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid (CID 2235057) is (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid is O=C(O)C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid?
The InChIKey is JKXCYTYNXQEUPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19NO4/c23-19(24)14-17(18-12-7-13-26-18)22-21(25)20(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,17,20H,14H2,(H,22,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid?
(3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid has a molecular weight of 349.39 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,2-diphenylacetyl)amino]-3-(furan-2-yl)propanoic acid is sourced from PubChem (CID 2235057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).