3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid

C14H18N2O5 — CID 106107222

IUPAC3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CN(C)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-16(13(18)10-6-4-3-5-7-10)9-12(17)15-8-11(21-2)14(19)20/h3-7,11H,8-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyFOQLLUGHPVDLBQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.03
Rot. Bonds7

About 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid

3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid (PubChem CID 106107222) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
PubChem CID106107222
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)CN(C)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O5/c1-16(13(18)10-6-4-3-5-7-10)9-12(17)15-8-11(21-2)14(19)20/h3-7,11H,8-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyFOQLLUGHPVDLBQ-UHFFFAOYSA-N
XLogP-0.03
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
N-[2-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 110885729
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
(2S)-2-[[2-[benzoyl(methyl)amino]acetyl]amino]-4-hydroxybutanoic acid
CID 107821764
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
2-methoxy-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 106108050
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
3-[[benzyl(ethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109628

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid (CID 106107222) is 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)CN(C)C(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid?
The InChIKey is FOQLLUGHPVDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-16(13(18)10-6-4-3-5-7-10)9-12(17)15-8-11(21-2)14(19)20/h3-7,11H,8-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid?
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106107222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).