methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate

C8H15NO5 — CID 13358927

IUPACmethyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(O)CCC(=O)OC
InChIInChI=1S/C8H15NO5/c1-13-7(10)3-5-9(12)6-4-8(11)14-2/h12H,3-6H2,1-2H3
InChIKeyNNVNNJSBWGOCGI-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.20
Rot. Bonds6

About methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate

methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate (PubChem CID 13358927) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate
PubChem CID13358927
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Namemethyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate
SMILESCOC(=O)CCN(O)CCC(=O)OC
InChIInChI=1S/C8H15NO5/c1-13-7(10)3-5-9(12)6-4-8(11)14-2/h12H,3-6H2,1-2H3
InChIKeyNNVNNJSBWGOCGI-UHFFFAOYSA-N
XLogP-0.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
CID 66925
N-(2-carboxyethyl)-N-hydroxy-beta-Alanine
CID 15055160
Methyl 3-(bis(2-methoxycarbonylethyl)amino)propanoate
CID 228223
Methoxy-bis(2-methoxycarbonyl-ethyl)-amine
CID 589626
N-Methoxy-N-acetyl-2-carbomethoxyethylamine
CID 548281
Ethyl 3-[(3-ethoxy-3-oxopropyl)-hydroxyamino]propanoate
CID 11593841
Methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 15272674
Butyl 3-[(3-butoxy-3-oxopropyl)-hydroxyamino]propanoate
CID 15766029
3-[Ethyl(hydroxy)amino]propanoic acid
CID 20307296
Methyl 3-[hydroxy-(3-methoxy-2-methyl-3-oxopropyl)amino]-2-methylpropanoate
CID 20576522
3-[Hydroxy(propyl)amino]propanoic acid
CID 20776666
Disodium;3-[2-carboxylatoethyl(hydroxy)amino]propanoate
CID 20793610

Frequently Asked Questions

What is the IUPAC name of methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate (CID 13358927) is methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate is COC(=O)CCN(O)CCC(=O)OC.
What is the InChIKey of methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate?
The InChIKey is NNVNNJSBWGOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-13-7(10)3-5-9(12)6-4-8(11)14-2/h12H,3-6H2,1-2H3.
What are the key properties of methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate?
methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate has a molecular weight of 205.21 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[hydroxy-(3-methoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 13358927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).