2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid

C14H14N2O4 — CID 65345977

IUPAC2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)NCc2ccco2)c1
InChIInChI=1S/C14H14N2O4/c17-13(18)8-10-3-1-4-11(7-10)16-14(19)15-9-12-5-2-6-20-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyYUOBJKMKMFFWMN-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.23
Rot. Bonds5

About 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid

2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid (PubChem CID 65345977) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
PubChem CID65345977
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)NCc2ccco2)c1
InChIInChI=1S/C14H14N2O4/c17-13(18)8-10-3-1-4-11(7-10)16-14(19)15-9-12-5-2-6-20-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,19)
InChIKeyYUOBJKMKMFFWMN-UHFFFAOYSA-N
XLogP2.23
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(furan-2-ylmethylcarbamoylamino)phenoxy]acetic acid
CID 61188088
2-(furan-2-ylmethylcarbamoylamino)-N-[3-(methylsulfanylmethyl)phenyl]acetamide
CID 56785440
1-[[3-(furan-2-ylmethylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47075956
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
2-[3-[(4-amino-4-oxobutyl)carbamoylamino]phenyl]acetic acid
CID 65345815
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
1-[3-(furan-2-ylmethoxymethyl)phenyl]-3-(pyridin-2-ylmethyl)urea
CID 51085457
N-benzyl-3-(furan-2-ylmethylcarbamothioylamino)benzamide
CID 2211304
2-[3-[(4-iodophenyl)carbamoylamino]phenyl]acetic acid
CID 65345675

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid (CID 65345977) is 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is YUOBJKMKMFFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(18)8-10-3-1-4-11(7-10)16-14(19)15-9-12-5-2-6-20-12/h1-7H,8-9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid?
2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-ylmethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 65345977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).