2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid

C15H16N2O4 — CID 61422318

IUPAC2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(Cc1ccoc1)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O4/c1-17(9-11-7-8-21-10-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDYWSRXBYUAUSMD-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.25
Rot. Bonds5

About 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid

2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 61422318) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID61422318
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(Cc1ccoc1)C(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H16N2O4/c1-17(9-11-7-8-21-10-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyDYWSRXBYUAUSMD-UHFFFAOYSA-N
XLogP2.25
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61422524
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63304810
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61422523
(2R)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909999
(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107838816
2-(furan-3-ylmethylamino)-2-phenylacetic acid
CID 63204557
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-[[[furan-3-ylmethyl(methyl)carbamoyl]amino]methyl]butanoic acid
CID 65223341
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
2-[[acetyl(benzyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444742

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid (CID 61422318) is 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid is CN(Cc1ccoc1)C(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is DYWSRXBYUAUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17(9-11-7-8-21-10-11)15(20)16-13(14(18)19)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 288.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 61422318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).