4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid

C10H12N2O5 — CID 43183438

IUPAC4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1ccc(C(=O)NC(CC(N)=O)C(=O)O)o1
InChIInChI=1S/C10H12N2O5/c1-5-2-3-7(17-5)9(14)12-6(10(15)16)4-8(11)13/h2-3,6H,4H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKeySLNXELVXPQJIPE-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.35
Rot. Bonds5

About 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid

4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 43183438) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
PubChem CID43183438
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
SMILESCc1ccc(C(=O)NC(CC(N)=O)C(=O)O)o1
InChIInChI=1S/C10H12N2O5/c1-5-2-3-7(17-5)9(14)12-6(10(15)16)4-8(11)13/h2-3,6H,4H2,1H3,(H2,11,13)(H,12,14)(H,15,16)
InChIKeySLNXELVXPQJIPE-UHFFFAOYSA-N
XLogP-0.35
TPSA122.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 28778450
(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 30118248
4-amino-4-oxo-2-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 43357141
4-amino-2-(1,2-oxazole-5-carbonylamino)-4-oxobutanoic acid
CID 43209858
N-(1-amino-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 65191012
4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 43357198
(2R)-4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 107821277
(2S)-2-[(5-phenylfuran-2-carbonyl)amino]butanedioic acid
CID 169205444
(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 61141581
N-(1-hydroxy-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 79252093
(2R)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoic acid
CID 7062801
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid (CID 43183438) is 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid is Cc1ccc(C(=O)NC(CC(N)=O)C(=O)O)o1.
What is the InChIKey of 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is SLNXELVXPQJIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-2-3-7(17-5)9(14)12-6(10(15)16)4-8(11)13/h2-3,6H,4H2,1H3,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 240.21 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(5-methylfuran-2-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43183438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).