methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate

C15H23NO4 — CID 60925192

IUPACmethyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
SMILESCOC(=O)CCNCC(O)COC(C)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-12(13-6-4-3-5-7-13)20-11-14(17)10-16-9-8-15(18)19-2/h3-7,12,14,16-17H,8-11H2,1-2H3
InChIKeyGBYVMLJYKDMBFK-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.28
Rot. Bonds9

About methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate

methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate (PubChem CID 60925192) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
PubChem CID60925192
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
SMILESCOC(=O)CCNCC(O)COC(C)c1ccccc1
InChIInChI=1S/C15H23NO4/c1-12(13-6-4-3-5-7-13)20-11-14(17)10-16-9-8-15(18)19-2/h3-7,12,14,16-17H,8-11H2,1-2H3
InChIKeyGBYVMLJYKDMBFK-UHFFFAOYSA-N
XLogP1.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591
1-(1-phenylethoxy)-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 83142673
methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
CID 63930269
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624
(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 97215274
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]oxyacetamide
CID 112673959
1-[(2-ethoxy-2-methylpropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 114942117

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate (CID 60925192) is methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate is COC(=O)CCNCC(O)COC(C)c1ccccc1.
What is the InChIKey of methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate?
The InChIKey is GBYVMLJYKDMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(13-6-4-3-5-7-13)20-11-14(17)10-16-9-8-15(18)19-2/h3-7,12,14,16-17H,8-11H2,1-2H3.
What are the key properties of methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate?
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate is sourced from PubChem (CID 60925192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).