2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid

C14H20N2O4 — CID 129001536

IUPAC2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2occc2C)C1
InChIInChI=1S/C14H20N2O4/c1-3-16(8-12(17)18)11-6-10(7-11)15-14(19)13-9(2)4-5-20-13/h4-5,10-11H,3,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJCANRYFUGHZCKC-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.26
Rot. Bonds6

About 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid (PubChem CID 129001536) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
PubChem CID129001536
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)c2occc2C)C1
InChIInChI=1S/C14H20N2O4/c1-3-16(8-12(17)18)11-6-10(7-11)15-14(19)13-9(2)4-5-20-13/h4-5,10-11H,3,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyJCANRYFUGHZCKC-UHFFFAOYSA-N
XLogP1.26
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026564
2-[ethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004037
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
2-[ethyl-[3-[2-(4-methylphenyl)ethylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122002549
2-[ethyl-[3-[(2-methylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073443
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122027039
2-[[3-[(3,4-dimethylphenyl)methylamino]cyclobutyl]-ethylamino]acetic acid
CID 122042566
2-[[3-(1-benzofuran-6-ylcarbamoylamino)cyclobutyl]-ethylamino]acetic acid
CID 122094518
2-[[3-[[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 129335580
2-[[3-[(5-tert-butylpyridine-2-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122111308
2-[ethyl-[3-(furo[3,2-c]pyridin-4-ylamino)cyclobutyl]amino]acetic acid
CID 122061885
2-[[3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 128993619

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid (CID 129001536) is 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)c2occc2C)C1.
What is the InChIKey of 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid?
The InChIKey is JCANRYFUGHZCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-16(8-12(17)18)11-6-10(7-11)15-14(19)13-9(2)4-5-20-13/h4-5,10-11H,3,6-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129001536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).