4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid

C14H18N2O5 — CID 43240218

IUPAC4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
SMILESCOc1ccccc1CCC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-11-5-3-2-4-9(11)6-7-13(18)16-10(14(19)20)8-12(15)17/h2-5,10H,6-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeySFVHMFMNVUPJQZ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.07
Rot. Bonds8

About 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid

4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid (PubChem CID 43240218) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
PubChem CID43240218
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid
SMILESCOc1ccccc1CCC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-21-11-5-3-2-4-9(11)6-7-13(18)16-10(14(19)20)8-12(15)17/h2-5,10H,6-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20)
InChIKeySFVHMFMNVUPJQZ-UHFFFAOYSA-N
XLogP0.07
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[[2-(2-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 43216762
4-amino-2-[(2-methoxyphenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 61181353
3-(3,4-dimethoxyphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
CID 45433011
4-amino-2-[(2-methoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 16776649
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
(2S)-2-[3-(2-methoxyphenyl)propanoylamino]-3-methylpentanoic acid
CID 61172911
(2S)-4-amino-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63715216
methyl 3-[3-(2-methoxyphenyl)propanoylamino]pentanoate
CID 112533174
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
(2R)-4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 107821277
4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 43357198

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid (CID 43240218) is 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid is COc1ccccc1CCC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid?
The InChIKey is SFVHMFMNVUPJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-21-11-5-3-2-4-9(11)6-7-13(18)16-10(14(19)20)8-12(15)17/h2-5,10H,6-8H2,1H3,(H2,15,17)(H,16,18)(H,19,20).
What are the key properties of 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid?
4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid has a molecular weight of 294.31 g/mol, XLogP of 0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[3-(2-methoxyphenyl)propanoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 43240218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).