2-benzamido-4-methoxy-4-oxobutanoic acid;ethane

C14H19NO5 — CID 142855999

IUPAC2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
SMILESCC.COC(=O)CC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO5.C2H6/c1-18-10(14)7-9(12(16)17)13-11(15)8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,13,15)(H,16,17);1-2H3
InChIKeyMJYKSYUVHLTROT-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.46
Rot. Bonds5

About 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane

2-benzamido-4-methoxy-4-oxobutanoic acid;ethane (PubChem CID 142855999) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane.

Molecular Properties

Compound Name2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
PubChem CID142855999
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
SMILESCC.COC(=O)CC(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C12H13NO5.C2H6/c1-18-10(14)7-9(12(16)17)13-11(15)8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,13,15)(H,16,17);1-2H3
InChIKeyMJYKSYUVHLTROT-UHFFFAOYSA-N
XLogP1.46
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2S)-4-methoxy-2-[[3-(methoxymethyl)benzoyl]amino]-4-oxobutanoic acid
CID 63306864
methyl 3-benzamidobutanoate
CID 10857046
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
(3S)-3-benzamido-5-methoxy-5-oxopentanoic acid
CID 139979888
(2S)-2-[(5-iodothiophene-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 79685650
(2S)-4-methoxy-4-oxo-2-(pyridazine-4-carbonylamino)butanoic acid
CID 113439174
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
(2S)-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 81287847
(2S)-2-benzamido-4-chlorosulfanyl-4-oxobutanoic acid
CID 174297379
(2S)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 80741011

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane?
The IUPAC name of 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane (CID 142855999) is 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane.
What is the SMILES notation for 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane?
The canonical SMILES for 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane is CC.COC(=O)CC(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane?
The InChIKey is MJYKSYUVHLTROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5.C2H6/c1-18-10(14)7-9(12(16)17)13-11(15)8-5-3-2-4-6-8;1-2/h2-6,9H,7H2,1H3,(H,13,15)(H,16,17);1-2H3.
What are the key properties of 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane?
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane has a molecular weight of 281.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-methoxy-4-oxobutanoic acid;ethane is sourced from PubChem (CID 142855999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).