(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid

C14H17NO6 — CID 63306930

IUPAC(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C14H17NO6/c1-20-10-5-3-4-9(6-10)7-12(16)15-11(14(18)19)8-13(17)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,16)(H,18,19)/t11-/m0/s1
InChIKeyIHOPERLKYIBXQL-NSHDSACASA-N
MW295.29 g/mol
LogP0.37
Rot. Bonds7

About (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid

(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 63306930) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
PubChem CID63306930
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
SMILESCOC(=O)C[C@H](NC(=O)Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C14H17NO6/c1-20-10-5-3-4-9(6-10)7-12(16)15-11(14(18)19)8-13(17)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,16)(H,18,19)/t11-/m0/s1
InChIKeyIHOPERLKYIBXQL-NSHDSACASA-N
XLogP0.37
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]-3-(4-methylphenyl)propanoate
CID 42920468
(2S)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307074
(2S)-2-[[2-(4-aminophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307180
(2S)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 80741011
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
(2S)-4-methoxy-4-oxo-2-[(2-phenylacetyl)amino]butanoate
CID 71358472
(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63303756
2-(3-methoxyphenyl)-N-[(2S)-4-oxo-4-phenylbutan-2-yl]acetamide
CID 97086495
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
N-(1-bromopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 114310600
N-(4-hydroxybutan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 81049875
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid (CID 63306930) is (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid is COC(=O)C[C@H](NC(=O)Cc1cccc(OC)c1)C(=O)O.
What is the InChIKey of (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is IHOPERLKYIBXQL-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO6/c1-20-10-5-3-4-9(6-10)7-12(16)15-11(14(18)19)8-13(17)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,16)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid?
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 63306930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).