2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid

C13H19N3O5 — CID 107423415

IUPAC2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C13H19N3O5/c1-15(2)5-6-16(9-12(18)19)11(17)8-14-13(20)10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyPEKORHKLKJIGBM-UHFFFAOYSA-N
MW297.31 g/mol
LogP-0.52
Rot. Bonds8

About 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid

2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid (PubChem CID 107423415) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
PubChem CID107423415
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C13H19N3O5/c1-15(2)5-6-16(9-12(18)19)11(17)8-14-13(20)10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyPEKORHKLKJIGBM-UHFFFAOYSA-N
XLogP-0.52
TPSA103.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264824
3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
CID 82324378
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709123
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
2-[[2-(furan-2-ylmethylcarbamoylamino)acetyl]-propylamino]acetic acid
CID 119204949
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
N-[2-[methyl(1-thiophen-2-ylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 47126244
2-[2-(dimethylamino)ethyl-[3-(dimethylamino)propanoyl]amino]acetic acid
CID 107423497
3-(furan-2-carbonylamino)propanoic acid
CID 762504

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid (CID 107423415) is 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid is CN(C)CCN(CC(=O)O)C(=O)CNC(=O)c1ccco1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid?
The InChIKey is PEKORHKLKJIGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-15(2)5-6-16(9-12(18)19)11(17)8-14-13(20)10-4-3-7-21-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid?
2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of -0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 107423415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).