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

C11H16N2O4 — CID 43442423

IUPAC2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
SMILESCC(NC(=O)CN(C)CC(=O)O)c1ccco1
InChIInChI=1S/C11H16N2O4/c1-8(9-4-3-5-17-9)12-10(14)6-13(2)7-11(15)16/h3-5,8H,6-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGXUQTCQPUQVVEQ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.47
Rot. Bonds6

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

2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid (PubChem CID 43442423) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
PubChem CID43442423
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
SMILESCC(NC(=O)CN(C)CC(=O)O)c1ccco1
InChIInChI=1S/C11H16N2O4/c1-8(9-4-3-5-17-9)12-10(14)6-13(2)7-11(15)16/h3-5,8H,6-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGXUQTCQPUQVVEQ-UHFFFAOYSA-N
XLogP0.47
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetate
CID 62013143
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-prop-2-ynylamino]acetic acid
CID 79275070
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]-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614141
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483
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
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
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]-methylamino]acetic acid?
The IUPAC name of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid (CID 43442423) is 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid is CC(NC(=O)CN(C)CC(=O)O)c1ccco1.
What is the InChIKey of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid?
The InChIKey is GXUQTCQPUQVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(9-4-3-5-17-9)12-10(14)6-13(2)7-11(15)16/h3-5,8H,6-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid?
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.47, 6 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]-methylamino]acetic acid is sourced from PubChem (CID 43442423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).