2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

C13H16N2O4 — CID 79275070

IUPAC2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)NC(C)c1ccco1
InChIInChI=1S/C13H16N2O4/c1-3-6-15(9-13(17)18)8-12(16)14-10(2)11-5-4-7-19-11/h1,4-5,7,10H,6,8-9H2,2H3,(H,14,16)(H,17,18)
InChIKeyQZAFQOFDCBPFGC-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.48
Rot. Bonds7

About 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid

2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid (PubChem CID 79275070) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
PubChem CID79275070
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
SMILESC#CCN(CC(=O)O)CC(=O)NC(C)c1ccco1
InChIInChI=1S/C13H16N2O4/c1-3-6-15(9-13(17)18)8-12(16)14-10(2)11-5-4-7-19-11/h1,4-5,7,10H,6,8-9H2,2H3,(H,14,16)(H,17,18)
InChIKeyQZAFQOFDCBPFGC-UHFFFAOYSA-N
XLogP0.48
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid with MolForge

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Related Compounds

2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
2-[carboxymethyl-[1-(furan-2-yl)ethylcarbamoyl]amino]acetic acid
CID 55246325
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
N-[1-(furan-2-yl)ethyl]-2-[methyl-[4-(methylamino)cyclohexyl]amino]acetamide
CID 79118481
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
5-bromo-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107908289
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
CID 62013143
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 61231079

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The IUPAC name of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid (CID 79275070) is 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid.
What is the SMILES notation for 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The canonical SMILES for 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid is C#CCN(CC(=O)O)CC(=O)NC(C)c1ccco1.
What is the InChIKey of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
The InChIKey is QZAFQOFDCBPFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-6-15(9-13(17)18)8-12(16)14-10(2)11-5-4-7-19-11/h1,4-5,7,10H,6,8-9H2,2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid?
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid is sourced from PubChem (CID 79275070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).