2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid

C15H24N2O4 — CID 61013161

IUPAC2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(CN(CC)CC)o1
InChIInChI=1S/C15H24N2O4/c1-4-9-17(11-14(18)19)15(20)13-8-7-12(21-13)10-16(5-2)6-3/h7-8H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeySYURPJLNFQEYAH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.06
Rot. Bonds9

About 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid

2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid (PubChem CID 61013161) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
PubChem CID61013161
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(CN(CC)CC)o1
InChIInChI=1S/C15H24N2O4/c1-4-9-17(11-14(18)19)15(20)13-8-7-12(21-13)10-16(5-2)6-3/h7-8H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeySYURPJLNFQEYAH-UHFFFAOYSA-N
XLogP2.06
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-ethylfuran-2-carbonyl)-propylamino]acetic acid
CID 54898860
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 62818999
5-(bromomethyl)-N,N-diethylfuran-2-carboxamide
CID 134860219
5-(diethylaminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040008
5-[[3-(dimethylamino)propyl-ethylamino]methyl]furan-2-carboxylic acid
CID 102994678
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
5-[[butyl(2-carboxyethyl)amino]methyl]furan-2-carboxylic acid
CID 82330538
3-[(5-bromofuran-2-carbonyl)-propylamino]propanoic acid
CID 82325595
2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid (CID 61013161) is 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(CN(CC)CC)o1.
What is the InChIKey of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid?
The InChIKey is SYURPJLNFQEYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-9-17(11-14(18)19)15(20)13-8-7-12(21-13)10-16(5-2)6-3/h7-8H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid?
2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 61013161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).