3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid

C12H18N2O4 — CID 82324378

IUPAC3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
SMILESCN(C)CCN(CCC(=O)O)C(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-13(2)7-8-14(6-5-11(15)16)12(17)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeySQFZHIAQEKSKLN-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.76
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid

3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid (PubChem CID 82324378) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
PubChem CID82324378
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
SMILESCN(C)CCN(CCC(=O)O)C(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-13(2)7-8-14(6-5-11(15)16)12(17)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3,(H,15,16)
InChIKeySQFZHIAQEKSKLN-UHFFFAOYSA-N
XLogP0.76
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405
2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
CID 107423415
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
N,N-bis(2-chloroethyl)furan-2-carboxamide
CID 15923
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
2-[furan-2-carbonyl(hydroxymethyl)amino]acetic acid
CID 126504893
N-(2-aminoethyl)-N-ethylfuran-2-carboxamide
CID 28707635
N,N-dibenzylfuran-2-carboxamide
CID 762503
N-butyl-N-decylfuran-2-carboxamide
CID 91700689

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid (CID 82324378) is 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid is CN(C)CCN(CCC(=O)O)C(=O)c1ccco1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid?
The InChIKey is SQFZHIAQEKSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13(2)7-8-14(6-5-11(15)16)12(17)10-4-3-9-18-10/h3-4,9H,5-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid?
3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82324378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).