methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate

C14H20ClNO4 — CID 61499471

IUPACmethyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)COCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO4/c1-10(14(18)19-2)16-7-12(17)9-20-8-11-5-3-4-6-13(11)15/h3-6,10,12,16-17H,7-9H2,1-2H3
InChIKeyVTIKLJVOZOVNLL-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.37
Rot. Bonds8

About methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate

methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate (PubChem CID 61499471) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
PubChem CID61499471
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)COCc1ccccc1Cl
InChIInChI=1S/C14H20ClNO4/c1-10(14(18)19-2)16-7-12(17)9-20-8-11-5-3-4-6-13(11)15/h3-6,10,12,16-17H,7-9H2,1-2H3
InChIKeyVTIKLJVOZOVNLL-UHFFFAOYSA-N
XLogP1.37
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate with MolForge

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
methyl 2-bromo-3-[(2-chlorophenyl)methoxy]propanoate
CID 81091609
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
CID 40654769
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
methyl (2S)-2-[[2-[(2-chlorophenyl)methoxy]acetyl]amino]propanoate
CID 87040393
1-[(2-chlorophenyl)methoxy]-3-(2-fluoroanilino)propan-2-ol
CID 60896667
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The IUPAC name of methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate (CID 61499471) is methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The canonical SMILES for methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate is COC(=O)C(C)NCC(O)COCc1ccccc1Cl.
What is the InChIKey of methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
The InChIKey is VTIKLJVOZOVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4/c1-10(14(18)19-2)16-7-12(17)9-20-8-11-5-3-4-6-13(11)15/h3-6,10,12,16-17H,7-9H2,1-2H3.
What are the key properties of methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate?
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate has a molecular weight of 301.77 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate is sourced from PubChem (CID 61499471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).