3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid

C16H17NO4 — CID 43351348

IUPAC3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)o1
InChIInChI=1S/C16H17NO4/c1-2-12-8-9-14(21-12)16(20)17-13(10-15(18)19)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeySFYLBCBYNVQYHF-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.79
Rot. Bonds6

About 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid

3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 43351348) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID43351348
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
SMILESCCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)o1
InChIInChI=1S/C16H17NO4/c1-2-12-8-9-14(21-12)16(20)17-13(10-15(18)19)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19)
InChIKeySFYLBCBYNVQYHF-UHFFFAOYSA-N
XLogP2.79
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-1-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113272304
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-2-phenylacetic acid
CID 61143786
5-ethyl-N-(2-hydroxy-2-phenylethyl)furan-2-carboxamide
CID 43427837
N-[(1R)-2-hydroxy-1-phenylethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103944448
N-(2-chloro-2-phenylethyl)-5-ethylfuran-2-carboxamide
CID 113271401
N-(2-bromo-1-phenylethyl)-5-methylfuran-2-carboxamide
CID 114311008
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
(2R)-2-[(5-ethylfuran-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 93054886
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
2-[(5-ethylfuran-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81077617

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid (CID 43351348) is 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid is CCc1ccc(C(=O)NC(CC(=O)O)c2ccccc2)o1.
What is the InChIKey of 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is SFYLBCBYNVQYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-12-8-9-14(21-12)16(20)17-13(10-15(18)19)11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid?
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 287.31 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 43351348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).