2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid

C15H22N2O4 — CID 79842257

IUPAC2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC(CCc1ccco1)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H22N2O4/c1-11(5-6-12-4-2-9-21-12)16-14(20)17-15(7-3-8-15)10-13(18)19/h2,4,9,11H,3,5-8,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFEZIBDZIZGFMIH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.30
Rot. Bonds7

About 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 79842257) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID79842257
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC(CCc1ccco1)NC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H22N2O4/c1-11(5-6-12-4-2-9-21-12)16-14(20)17-15(7-3-8-15)10-13(18)19/h2,4,9,11H,3,5-8,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFEZIBDZIZGFMIH-UHFFFAOYSA-N
XLogP2.30
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79851604
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
N-[(2S)-4-(furan-2-yl)butan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 95639214
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
(2R)-2-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927814
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
N-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
CID 61251024
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
N-[4-(furan-2-yl)butan-2-yl]-2-methylpiperidine-2-carboxamide
CID 104596634

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid (CID 79842257) is 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid is CC(CCc1ccco1)NC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is FEZIBDZIZGFMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(5-6-12-4-2-9-21-12)16-14(20)17-15(7-3-8-15)10-13(18)19/h2,4,9,11H,3,5-8,10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79842257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).