methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate

C15H22N2O4 — CID 103240330

IUPACmethyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate
SMILESCOCc1ccccc1CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-11(18)17-14(15(19)21-3)9-16-8-12-6-4-5-7-13(12)10-20-2/h4-7,14,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyBOHZXHSKJHPEME-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.60
Rot. Bonds8

About methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate

methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate (PubChem CID 103240330) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate
PubChem CID103240330
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate
SMILESCOCc1ccccc1CNCC(NC(C)=O)C(=O)OC
InChIInChI=1S/C15H22N2O4/c1-11(18)17-14(15(19)21-3)9-16-8-12-6-4-5-7-13(12)10-20-2/h4-7,14,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyBOHZXHSKJHPEME-UHFFFAOYSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 60924440
methyl 2-acetamido-3-[[4-(hydroxymethyl)phenyl]methylamino]propanoate
CID 107232568
methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
methyl 2-acetamido-3-(furan-3-ylmethylamino)propanoate
CID 103267901
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
CID 60649455
methyl 2-acetamido-3-(2-propylanilino)propanoate
CID 103246193
methyl 2-acetamido-3-(1,2-oxazol-5-ylmethylamino)propanoate
CID 106419792
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
CID 103233877
3-[[2-(methoxymethyl)phenyl]methylamino]-2-phenylpropanenitrile
CID 64536413
methyl 3-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]propanoate
CID 43623509

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate?
The IUPAC name of methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate (CID 103240330) is methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate.
What is the SMILES notation for methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate?
The canonical SMILES for methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate is COCc1ccccc1CNCC(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate?
The InChIKey is BOHZXHSKJHPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(18)17-14(15(19)21-3)9-16-8-12-6-4-5-7-13(12)10-20-2/h4-7,14,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate?
methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate has a molecular weight of 294.35 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-[[2-(methoxymethyl)phenyl]methylamino]propanoate is sourced from PubChem (CID 103240330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).