4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid

C13H16N2O5 — CID 43216762

IUPAC4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
SMILESCOc1ccccc1CC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-20-10-5-3-2-4-8(10)6-12(17)15-9(13(18)19)7-11(14)16/h2-5,9H,6-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyYHUQPRXFABWXGR-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.32
Rot. Bonds7

About 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid

4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 43216762) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
PubChem CID43216762
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
SMILESCOc1ccccc1CC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-20-10-5-3-2-4-8(10)6-12(17)15-9(13(18)19)7-11(14)16/h2-5,9H,6-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyYHUQPRXFABWXGR-UHFFFAOYSA-N
XLogP-0.32
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
CID 43240218
4-amino-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61181353
4-amino-2-[(2-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 16776649
(2S)-4-amino-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63715216
5-methoxy-2-[[2-(2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 81085334
(2S)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 80741011
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
(2R)-4-amino-2-[[2-(3-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 114004738
(2R)-N-ethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]propanamide
CID 8751746
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63303756

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid (CID 43216762) is 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid is COc1ccccc1CC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is YHUQPRXFABWXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-10-5-3-2-4-8(10)6-12(17)15-9(13(18)19)7-11(14)16/h2-5,9H,6-7H2,1H3,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 280.28 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43216762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).