2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

C19H25N3O5 — CID 122027039

IUPAC2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(Cc2ccco2)Cc2ccco2)C1
InChIInChI=1S/C19H25N3O5/c1-2-21(13-18(23)24)15-9-14(10-15)20-19(25)22(11-16-5-3-7-26-16)12-17-6-4-8-27-17/h3-8,14-15H,2,9-13H2,1H3,(H,20,25)(H,23,24)
InChIKeyFYUCKXQQCDSOCA-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.52
Rot. Bonds9

About 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid

2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (PubChem CID 122027039) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
PubChem CID122027039
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(Cc2ccco2)Cc2ccco2)C1
InChIInChI=1S/C19H25N3O5/c1-2-21(13-18(23)24)15-9-14(10-15)20-19(25)22(11-16-5-3-7-26-16)12-17-6-4-8-27-17/h3-8,14-15H,2,9-13H2,1H3,(H,20,25)(H,23,24)
InChIKeyFYUCKXQQCDSOCA-UHFFFAOYSA-N
XLogP2.52
TPSA99.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
2-[[3-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027034
2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026564
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 129001536
2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026960
2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004037
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
2-[ethyl-[3-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042374
2-[cyclopropyl(ethyl)amino]-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 78877019
2-[[3-(1,3-dihydroisoindole-2-carbonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122026644

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid (CID 122027039) is 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(Cc2ccco2)Cc2ccco2)C1.
What is the InChIKey of 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
The InChIKey is FYUCKXQQCDSOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-2-21(13-18(23)24)15-9-14(10-15)20-19(25)22(11-16-5-3-7-26-16)12-17-6-4-8-27-17/h3-8,14-15H,2,9-13H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid?
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid has a molecular weight of 375.43 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122027039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).