(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid

C15H15NO4 — CID 61143786

IUPAC(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
SMILESCCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4/c1-2-11-8-9-12(20-11)14(17)16-13(15(18)19)10-6-4-3-5-7-10/h3-9,13H,2H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyYFSBXZZFJKPYSM-CYBMUJFWSA-N
MW273.29 g/mol
LogP2.40
Rot. Bonds5

About (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61143786) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID61143786
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
SMILESCCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)o1
InChIInChI=1S/C15H15NO4/c1-2-11-8-9-12(20-11)14(17)16-13(15(18)19)10-6-4-3-5-7-10/h3-9,13H,2H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyYFSBXZZFJKPYSM-CYBMUJFWSA-N
XLogP2.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]-2-phenylacetic acid
CID 61145316
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617
ethyl 2-[(5-methylfuran-2-carbonyl)amino]-2-phenylacetate
CID 108804015
6-[(5-ethylfuran-2-carbonyl)amino]-2-methylheptanoic acid
CID 65285809
ethyl 2-phenyl-2-[[5-[(2,4,6-trimethylphenyl)methyl]furan-2-carbonyl]amino]acetate
CID 21046445
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid (CID 61143786) is (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid is CCc1ccc(C(=O)N[C@@H](C(=O)O)c2ccccc2)o1.
What is the InChIKey of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is YFSBXZZFJKPYSM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-11-8-9-12(20-11)14(17)16-13(15(18)19)10-6-4-3-5-7-10/h3-9,13H,2H2,1H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 273.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61143786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).