2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid

C14H19NO4 — CID 120686714

IUPAC2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid
SMILESCCc1cc(C(=O)NC(C(=O)O)C2CC2)oc1CC
InChIInChI=1S/C14H19NO4/c1-3-8-7-11(19-10(8)4-2)13(16)15-12(14(17)18)9-5-6-9/h7,9,12H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHQFWPLWBQREFMS-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.00
Rot. Bonds6

About 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid (PubChem CID 120686714) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid
PubChem CID120686714
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid
SMILESCCc1cc(C(=O)NC(C(=O)O)C2CC2)oc1CC
InChIInChI=1S/C14H19NO4/c1-3-8-7-11(19-10(8)4-2)13(16)15-12(14(17)18)9-5-6-9/h7,9,12H,3-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHQFWPLWBQREFMS-UHFFFAOYSA-N
XLogP2.00
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]acetic acid
CID 119213842
2-cyclopropyl-2-[(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119213563
2-cyclopropyl-2-[[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119213623
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
CID 62697237
2-cyclopropyl-2-(furan-2-carbonylamino)acetic acid
CID 62697228
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091
2-[(5-bromo-3-methylfuran-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213277
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]butanoic acid
CID 120523298
2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120686844

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid (CID 120686714) is 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid is CCc1cc(C(=O)NC(C(=O)O)C2CC2)oc1CC.
What is the InChIKey of 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid?
The InChIKey is HQFWPLWBQREFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-8-7-11(19-10(8)4-2)13(16)15-12(14(17)18)9-5-6-9/h7,9,12H,3-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4,5-diethylfuran-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 120686714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).