2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid

C14H17N3O4 — CID 60833874

IUPAC2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESCc1oc(NC(=O)CN(CC(=O)O)C2CC2)c(C#N)c1C
InChIInChI=1S/C14H17N3O4/c1-8-9(2)21-14(11(8)5-15)16-12(18)6-17(7-13(19)20)10-3-4-10/h10H,3-4,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZXQRBCSSBVZHIZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.26
Rot. Bonds6

About 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid

2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid (PubChem CID 60833874) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
PubChem CID60833874
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
SMILESCc1oc(NC(=O)CN(CC(=O)O)C2CC2)c(C#N)c1C
InChIInChI=1S/C14H17N3O4/c1-8-9(2)21-14(11(8)5-15)16-12(18)6-17(7-13(19)20)10-3-4-10/h10H,3-4,6-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZXQRBCSSBVZHIZ-UHFFFAOYSA-N
XLogP1.26
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid with MolForge

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Related Compounds

2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61011895
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 78836218
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398195
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 43054288
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789579
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 16593722
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681461
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid
CID 54945166
2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 42126507
2-methylpropyl N-(3-cyano-4,5-dimethylfuran-2-yl)carbamate
CID 108740181
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78832981

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid (CID 60833874) is 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid is Cc1oc(NC(=O)CN(CC(=O)O)C2CC2)c(C#N)c1C.
What is the InChIKey of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
The InChIKey is ZXQRBCSSBVZHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-9(2)21-14(11(8)5-15)16-12(18)6-17(7-13(19)20)10-3-4-10/h10H,3-4,6-7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid?
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60833874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).