methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate

C14H21NO4 — CID 61499402

IUPACmethyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)COc1cccc(C)c1
InChIInChI=1S/C14H21NO4/c1-10-5-4-6-13(7-10)19-9-12(16)8-15-11(2)14(17)18-3/h4-7,11-12,15-16H,8-9H2,1-3H3
InChIKeySAJUHOLWJHIBEG-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.89
Rot. Bonds7

About methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate

methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate (PubChem CID 61499402) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
PubChem CID61499402
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)COc1cccc(C)c1
InChIInChI=1S/C14H21NO4/c1-10-5-4-6-13(7-10)19-9-12(16)8-15-11(2)14(17)18-3/h4-7,11-12,15-16H,8-9H2,1-3H3
InChIKeySAJUHOLWJHIBEG-UHFFFAOYSA-N
XLogP0.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]acetamide
CID 60902288
3-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butan-1-ol
CID 83176233
4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]butanamide
CID 54937901
methyl 2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]propanoate
CID 61499795
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846
methyl 4-methyl-2-[(3-methylphenoxy)methyl]pentanoate
CID 117242158
1-(heptan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 60635442
(2S)-2-amino-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3,3-dimethylbutanamide
CID 119751623
1-(3-methylphenoxy)-3-[[(1R)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81392297
methyl 2-[[3-(3-bromophenoxy)-2-hydroxypropyl]amino]-3-methylbutanoate
CID 60910386
(2R)-2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]propanoic acid
CID 40543805
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-propan-2-ylamino]acetamide
CID 110882260

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate (CID 61499402) is methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate is COC(=O)C(C)NCC(O)COc1cccc(C)c1.
What is the InChIKey of methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate?
The InChIKey is SAJUHOLWJHIBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10-5-4-6-13(7-10)19-9-12(16)8-15-11(2)14(17)18-3/h4-7,11-12,15-16H,8-9H2,1-3H3.
What are the key properties of methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate?
methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate has a molecular weight of 267.32 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]propanoate is sourced from PubChem (CID 61499402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).