methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate

C13H17NO5 — CID 103879076

IUPACmethyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
SMILESCOCc1cccc(C(=O)NCC(O)C(=O)OC)c1
InChIInChI=1S/C13H17NO5/c1-18-8-9-4-3-5-10(6-9)12(16)14-7-11(15)13(17)19-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeySQEJXYBIPLZGOD-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.10
Rot. Bonds6

About methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate

methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate (PubChem CID 103879076) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
PubChem CID103879076
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate
SMILESCOCc1cccc(C(=O)NCC(O)C(=O)OC)c1
InChIInChI=1S/C13H17NO5/c1-18-8-9-4-3-5-10(6-9)12(16)14-7-11(15)13(17)19-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)
InChIKeySQEJXYBIPLZGOD-UHFFFAOYSA-N
XLogP0.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
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CID 60667721
3-(methoxymethyl)-N-prop-2-ynylbenzamide
CID 51219689
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
N-(1-amino-1-oxopropan-2-yl)-3-(methoxymethyl)benzamide
CID 134045690
N-[2-(dimethylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 9481032
2,6-difluoro-N-[2-[[3-(methoxymethyl)benzoyl]amino]ethyl]benzamide
CID 56788999
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)benzamide
CID 7603190
2-[[3-(methoxymethyl)benzoyl]amino]propanoic acid
CID 43170851
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate (CID 103879076) is methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate is COCc1cccc(C(=O)NCC(O)C(=O)OC)c1.
What is the InChIKey of methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate?
The InChIKey is SQEJXYBIPLZGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-8-9-4-3-5-10(6-9)12(16)14-7-11(15)13(17)19-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate?
methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[3-(methoxymethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 103879076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).