(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid

C14H17NO6 — CID 63306864

IUPAC(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
SMILESCOCc1cccc(C(=O)N[C@@H](CC(=O)OC)C(=O)O)c1
InChIInChI=1S/C14H17NO6/c1-20-8-9-4-3-5-10(6-9)13(17)15-11(14(18)19)7-12(16)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyGALFSYRPOHWNCI-NSHDSACASA-N
MW295.29 g/mol
LogP0.58
Rot. Bonds7

About (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid

(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid (PubChem CID 63306864) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
PubChem CID63306864
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
SMILESCOCc1cccc(C(=O)N[C@@H](CC(=O)OC)C(=O)O)c1
InChIInChI=1S/C14H17NO6/c1-20-8-9-4-3-5-10(6-9)13(17)15-11(14(18)19)7-12(16)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1
InChIKeyGALFSYRPOHWNCI-NSHDSACASA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 107829854
(2S)-5-amino-2-[[3-(methoxymethyl)benzoyl]amino]-5-oxopentanoic acid
CID 61144055
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
2-cyclopropyl-2-[[3-(methoxymethyl)benzoyl]amino]acetic acid
CID 62697280
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
(2S)-4-methoxy-2-[[2-(3-methoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 63306930
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 79685650

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid (CID 63306864) is (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid is COCc1cccc(C(=O)N[C@@H](CC(=O)OC)C(=O)O)c1.
What is the InChIKey of (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid?
The InChIKey is GALFSYRPOHWNCI-NSHDSACASA-N. The full InChI is InChI=1S/C14H17NO6/c1-20-8-9-4-3-5-10(6-9)13(17)15-11(14(18)19)7-12(16)21-2/h3-6,11H,7-8H2,1-2H3,(H,15,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid?
(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.58, 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-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 63306864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).