4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid

C11H15N3O5 — CID 61422524

IUPAC4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccoc1)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-14(5-7-2-3-19-6-7)11(18)13-8(10(16)17)4-9(12)15/h2-3,6,8H,4-5H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyJVQBXIGIDJXVAG-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.25
Rot. Bonds6

About 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid

4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 61422524) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID61422524
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCN(Cc1ccoc1)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-14(5-7-2-3-19-6-7)11(18)13-8(10(16)17)4-9(12)15/h2-3,6,8H,4-5H2,1H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyJVQBXIGIDJXVAG-UHFFFAOYSA-N
XLogP-0.25
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63304810
(2S)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 61422523
(2R)-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909999
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61422318
(2R)-4-amino-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826598
4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 103997783
(2R)-4-amino-2-(furan-3-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 114005867
(2R)-4-amino-2-[[(5-bromothiophen-3-yl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826989
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
(2S)-3-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107838816
4-amino-2-[[(2-chlorophenyl)methyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61414780

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid (CID 61422524) is 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid is CN(Cc1ccoc1)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is JVQBXIGIDJXVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-14(5-7-2-3-19-6-7)11(18)13-8(10(16)17)4-9(12)15/h2-3,6,8H,4-5H2,1H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 61422524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).