2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid

C13H18N2O4 — CID 79851604

IUPAC2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCC1)c1ccco1
InChIInChI=1S/C13H18N2O4/c1-9(10-4-2-7-19-10)14-12(18)15-13(5-3-6-13)8-11(16)17/h2,4,7,9H,3,5-6,8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyHULSQDBLVBYQIG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 79851604) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID79851604
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCC1)c1ccco1
InChIInChI=1S/C13H18N2O4/c1-9(10-4-2-7-19-10)14-12(18)15-13(5-3-6-13)8-11(16)17/h2,4,7,9H,3,5-6,8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyHULSQDBLVBYQIG-UHFFFAOYSA-N
XLogP2.04
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(furan-2-yl)butan-2-ylcarbamoylamino]cyclobutyl]acetic acid
CID 79842257
1-[1-(furan-2-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 61197564
1-[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 81409013
1-[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43402811
2-[1-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442281
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2-(1-aminocyclohexyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400282
4-[1-(furan-2-yl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 80540877
2-[1-(1-thiophen-2-ylpropylcarbamoylamino)cyclobutyl]acetic acid
CID 79851534
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid (CID 79851604) is 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid is CC(NC(=O)NC1(CC(=O)O)CCC1)c1ccco1.
What is the InChIKey of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is HULSQDBLVBYQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(10-4-2-7-19-10)14-12(18)15-13(5-3-6-13)8-11(16)17/h2,4,7,9H,3,5-6,8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).