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

C10H21NO5 — CID 106989632

IUPACmethyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
SMILESCOCCOCC(O)CNC(C)C(=O)OC
InChIInChI=1S/C10H21NO5/c1-8(10(13)15-3)11-6-9(12)7-16-5-4-14-2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyPITPMYNBCCBLJC-UHFFFAOYSA-N
MW235.28 g/mol
LogP-0.84
Rot. Bonds9

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

methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate (PubChem CID 106989632) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
PubChem CID106989632
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Namemethyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
SMILESCOCCOCC(O)CNC(C)C(=O)OC
InChIInChI=1S/C10H21NO5/c1-8(10(13)15-3)11-6-9(12)7-16-5-4-14-2/h8-9,11-12H,4-7H2,1-3H3
InChIKeyPITPMYNBCCBLJC-UHFFFAOYSA-N
XLogP-0.84
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106990428
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
1-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989627
2-[(2-hydroxy-3-octoxypropyl)amino]propanamide
CID 54938860
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]-4-methylpentan-1-ol
CID 106989573
methyl 2-[3-(2-methoxyethoxy)propylamino]propanoate
CID 66173501
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate (CID 106989632) is methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate is COCCOCC(O)CNC(C)C(=O)OC.
What is the InChIKey of methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate?
The InChIKey is PITPMYNBCCBLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5/c1-8(10(13)15-3)11-6-9(12)7-16-5-4-14-2/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate?
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate has a molecular weight of 235.28 g/mol, XLogP of -0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate is sourced from PubChem (CID 106989632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).