(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid

C13H11NO4 — CID 30049473

IUPAC(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1ccoc1
InChIInChI=1S/C13H11NO4/c15-12(10-6-7-18-8-10)14-11(13(16)17)9-4-2-1-3-5-9/h1-8,11H,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyYIJGOMNGXUWPBP-LLVKDONJSA-N
MW245.23 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid

(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid (PubChem CID 30049473) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
PubChem CID30049473
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccccc1)c1ccoc1
InChIInChI=1S/C13H11NO4/c15-12(10-6-7-18-8-10)14-11(13(16)17)9-4-2-1-3-5-9/h1-8,11H,(H,14,15)(H,16,17)/t11-/m1/s1
InChIKeyYIJGOMNGXUWPBP-LLVKDONJSA-N
XLogP1.84
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
2-[(4-bromobenzoyl)amino]-2-phenylacetic acid
CID 16776362
N-[(1R)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-3-carboxamide
CID 100735320
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
(2R)-2-[(3,5-dibromobenzoyl)amino]-2-phenylacetic acid
CID 107971317
N-[(1S)-2-(furan-3-ylmethylamino)-2-oxo-1-phenylethyl]benzamide
CID 94062874
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
(2S)-2-[(4-cyanobenzoyl)amino]-2-phenylacetic acid
CID 30112923
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid (CID 30049473) is (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid is O=C(N[C@@H](C(=O)O)c1ccccc1)c1ccoc1.
What is the InChIKey of (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid?
The InChIKey is YIJGOMNGXUWPBP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11NO4/c15-12(10-6-7-18-8-10)14-11(13(16)17)9-4-2-1-3-5-9/h1-8,11H,(H,14,15)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid?
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid has a molecular weight of 245.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid is sourced from PubChem (CID 30049473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).