4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid

C11H16N2O4 — CID 64890889

IUPAC4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(Cc1ccoc1)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-13(6-8-4-5-17-7-8)11(16)9(12)2-3-10(14)15/h4-5,7,9H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyWEJMTTBSUWDQKC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.43
Rot. Bonds6

About 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid

4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid (PubChem CID 64890889) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
PubChem CID64890889
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid
SMILESCN(Cc1ccoc1)C(=O)C(N)CCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-13(6-8-4-5-17-7-8)11(16)9(12)2-3-10(14)15/h4-5,7,9H,2-3,6,12H2,1H3,(H,14,15)
InChIKeyWEJMTTBSUWDQKC-UHFFFAOYSA-N
XLogP0.43
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
4-amino-5-[(3-hydroxyphenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64890296
N-(furan-3-ylmethyl)-N-methyl-2-sulfanylpropanamide
CID 107024417
4-amino-5-[(3-fluorophenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64895214
4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid
CID 64889164
2-amino-N-ethyl-N-(furan-3-ylmethyl)pentanamide
CID 86784232
2-cyano-N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 55208173
(4S)-4-amino-5-[2,2-dihydroxyethyl(methyl)amino]-5-oxopentanoic acid
CID 153453865
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid (CID 64890889) is 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid is CN(Cc1ccoc1)C(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid?
The InChIKey is WEJMTTBSUWDQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-13(6-8-4-5-17-7-8)11(16)9(12)2-3-10(14)15/h4-5,7,9H,2-3,6,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid?
4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[furan-3-ylmethyl(methyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).