2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid

C14H14N2O4 — CID 61188974

IUPAC2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCc1ccco1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)
InChIKeyUIIBFTUJUNYKRM-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.90
Rot. Bonds5

About 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid

2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid (PubChem CID 61188974) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
PubChem CID61188974
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(NCc1ccco1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H14N2O4/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h1-8,12H,9H2,(H,17,18)(H2,15,16,19)
InChIKeyUIIBFTUJUNYKRM-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
(2R)-2-phenyl-2-(thiophen-2-ylmethylcarbamoylamino)acetic acid
CID 61194297
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid (CID 61188974) is 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid is O=C(NCc1ccco1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is UIIBFTUJUNYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(18)12(10-5-2-1-3-6-10)16-14(19)15-9-11-7-4-8-20-11/h1-8,12H,9H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid?
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61188974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).