methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate

C8H17NO4 — CID 63930269

IUPACmethyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
SMILESCOCC(O)CNCCC(=O)OC
InChIInChI=1S/C8H17NO4/c1-12-6-7(10)5-9-4-3-8(11)13-2/h7,9-10H,3-6H2,1-2H3
InChIKeyWARRWLPBFLZYPO-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.85
Rot. Bonds7

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

methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate (PubChem CID 63930269) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
PubChem CID63930269
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Namemethyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate
SMILESCOCC(O)CNCCC(=O)OC
InChIInChI=1S/C8H17NO4/c1-12-6-7(10)5-9-4-3-8(11)13-2/h7,9-10H,3-6H2,1-2H3
InChIKeyWARRWLPBFLZYPO-UHFFFAOYSA-N
XLogP-0.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.85
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

methyl 3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanoate
CID 54935728
methyl 3-[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]propanoate
CID 54935915
4-[(2-hydroxy-3-methoxypropyl)amino]butanoic acid
CID 63930297
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
methyl 3-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]propanoate
CID 54935588
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
1-(3-ethylsulfonylpropylamino)-3-methoxypropan-2-ol
CID 65093219
1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate
CID 155669506
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]propanamide
CID 103253317
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate (CID 63930269) is methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate is COCC(O)CNCCC(=O)OC.
What is the InChIKey of methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate?
The InChIKey is WARRWLPBFLZYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-12-6-7(10)5-9-4-3-8(11)13-2/h7,9-10H,3-6H2,1-2H3.
What are the key properties of methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate?
methyl 3-[(2-hydroxy-3-methoxypropyl)amino]propanoate has a molecular weight of 191.23 g/mol, XLogP of -0.85, 7 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-methoxypropyl)amino]propanoate is sourced from PubChem (CID 63930269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).