2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid

C16H25N3O4 — CID 122026564

IUPAC2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C)Cc2occc2C)C1
InChIInChI=1S/C16H25N3O4/c1-4-19(10-15(20)21)13-7-12(8-13)17-16(22)18(3)9-14-11(2)5-6-23-14/h5-6,12-13H,4,7-10H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyAFMRWIFFSAUVEP-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.67
Rot. Bonds7

About 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid

2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid (PubChem CID 122026564) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
PubChem CID122026564
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC(=O)N(C)Cc2occc2C)C1
InChIInChI=1S/C16H25N3O4/c1-4-19(10-15(20)21)13-7-12(8-13)17-16(22)18(3)9-14-11(2)5-6-23-14/h5-6,12-13H,4,7-10H2,1-3H3,(H,17,22)(H,20,21)
InChIKeyAFMRWIFFSAUVEP-UHFFFAOYSA-N
XLogP1.67
TPSA86.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid with MolForge

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Related Compounds

2-[ethyl-[3-[(3-methylfuran-2-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 129001536
2-[[3-[bis(furan-2-ylmethyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122027039
2-[[3-[[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027043
2-[ethyl-[3-[[methyl(4-phenylbutyl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026881
2-[ethyl-[3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025383
2-[[3-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026101
2-[ethyl-[3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122027004
2-[[3-[[benzyl(cyclopropyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122025365
2-[[3-[[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027034
2-[[3-[[benzyl(propyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122027054
2-[[3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026960
2-[ethyl-[3-[[2-hydroxyethyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122025983

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid (CID 122026564) is 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NC(=O)N(C)Cc2occc2C)C1.
What is the InChIKey of 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
The InChIKey is AFMRWIFFSAUVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-4-19(10-15(20)21)13-7-12(8-13)17-16(22)18(3)9-14-11(2)5-6-23-14/h5-6,12-13H,4,7-10H2,1-3H3,(H,17,22)(H,20,21).
What are the key properties of 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid?
2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid has a molecular weight of 323.39 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[[methyl-[(3-methylfuran-2-yl)methyl]carbamoyl]amino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122026564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).