2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid

C14H22N2O5 — CID 43170259

IUPAC2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
SMILESCCN(CC)Cc1ccc(C(=O)NC(C(=O)O)C(C)O)o1
InChIInChI=1S/C14H22N2O5/c1-4-16(5-2)8-10-6-7-11(21-10)13(18)15-12(9(3)17)14(19)20/h6-7,9,12,17H,4-5,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYWZXLYRFZKNVSR-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.69
Rot. Bonds8

About 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid

2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid (PubChem CID 43170259) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
PubChem CID43170259
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid
SMILESCCN(CC)Cc1ccc(C(=O)NC(C(=O)O)C(C)O)o1
InChIInChI=1S/C14H22N2O5/c1-4-16(5-2)8-10-6-7-11(21-10)13(18)15-12(9(3)17)14(19)20/h6-7,9,12,17H,4-5,8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyYWZXLYRFZKNVSR-UHFFFAOYSA-N
XLogP0.69
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid (CID 43170259) is 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid is CCN(CC)Cc1ccc(C(=O)NC(C(=O)O)C(C)O)o1.
What is the InChIKey of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid?
The InChIKey is YWZXLYRFZKNVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-4-16(5-2)8-10-6-7-11(21-10)13(18)15-12(9(3)17)14(19)20/h6-7,9,12,17H,4-5,8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid?
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid has a molecular weight of 298.34 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 43170259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).