2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid

C10H14N2O4 — CID 43466208

IUPAC2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(NCC(=O)O)C(=O)NCc1ccco1
InChIInChI=1S/C10H14N2O4/c1-7(11-6-9(13)14)10(15)12-5-8-3-2-4-16-8/h2-4,7,11H,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyKLXKXSRPUGYBTM-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.04
Rot. Bonds6

About 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 43466208) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID43466208
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(NCC(=O)O)C(=O)NCc1ccco1
InChIInChI=1S/C10H14N2O4/c1-7(11-6-9(13)14)10(15)12-5-8-3-2-4-16-8/h2-4,7,11H,5-6H2,1H3,(H,12,15)(H,13,14)
InChIKeyKLXKXSRPUGYBTM-UHFFFAOYSA-N
XLogP-0.04
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
(2R)-2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)propanamide
CID 7437364
N-(furan-2-ylmethyl)-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62639953
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 54940460
N-(furan-2-ylmethyl)-2-(2,2,3,3-tetrafluoropropylamino)propanamide
CID 106291294
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 43466208) is 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(NCC(=O)O)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is KLXKXSRPUGYBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7(11-6-9(13)14)10(15)12-5-8-3-2-4-16-8/h2-4,7,11H,5-6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of -0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 43466208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).