2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid

C13H16N2O5 — CID 79849169

IUPAC2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CNC(=O)c2ccco2)CCC1
InChIInChI=1S/C13H16N2O5/c16-10(8-14-12(19)9-3-1-6-20-9)15-13(4-2-5-13)7-11(17)18/h1,3,6H,2,4-5,7-8H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyHQQOEKXPAPFCDP-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.52
Rot. Bonds6

About 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid

2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid (PubChem CID 79849169) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
PubChem CID79849169
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CNC(=O)c2ccco2)CCC1
InChIInChI=1S/C13H16N2O5/c16-10(8-14-12(19)9-3-1-6-20-9)15-13(4-2-5-13)7-11(17)18/h1,3,6H,2,4-5,7-8H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyHQQOEKXPAPFCDP-UHFFFAOYSA-N
XLogP0.52
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-(hydroxymethyl)cyclobutyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 115878396
2-[1-[[2-[(4-tert-butylbenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 120521880
3-[[2-(furan-2-carbonylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 64887873
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]furan-2-carboxamide
CID 9454088
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757
N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide
CID 24646093
2-[1-[[2-[(2-chloro-6-nitrobenzoyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 119217658
N-[(1-methylcyclobutyl)methyl]furan-2-carboxamide
CID 103737372
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
N-[2-oxo-2-(phenylmethoxyamino)ethyl]furan-2-carboxamide
CID 9227365

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid (CID 79849169) is 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CNC(=O)c2ccco2)CCC1.
What is the InChIKey of 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid?
The InChIKey is HQQOEKXPAPFCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c16-10(8-14-12(19)9-3-1-6-20-9)15-13(4-2-5-13)7-11(17)18/h1,3,6H,2,4-5,7-8H2,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(furan-2-carbonylamino)acetyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79849169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).