methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate

C11H22N2O5 — CID 104645029

IUPACmethyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
SMILESCOCCNC(=O)CCNCC(C)(O)C(=O)OC
InChIInChI=1S/C11H22N2O5/c1-11(16,10(15)18-3)8-12-5-4-9(14)13-6-7-17-2/h12,16H,4-8H2,1-3H3,(H,13,14)
InChIKeyLNRRFJWWAOVRCV-UHFFFAOYSA-N
MW262.31 g/mol
LogP-1.35
Rot. Bonds9

About methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate

methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate (PubChem CID 104645029) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
PubChem CID104645029
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Namemethyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
SMILESCOCCNC(=O)CCNCC(C)(O)C(=O)OC
InChIInChI=1S/C11H22N2O5/c1-11(16,10(15)18-3)8-12-5-4-9(14)13-6-7-17-2/h12,16H,4-8H2,1-3H3,(H,13,14)
InChIKeyLNRRFJWWAOVRCV-UHFFFAOYSA-N
XLogP-1.35
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009
methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 104645030
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-(2-methoxyethyl)-3-(3-sulfanylpropanoylamino)propanamide
CID 107034705
5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N-(2-methoxyethyl)-2-[(2-methoxy-2-methylpropyl)amino]acetamide
CID 104760634
methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 104644043
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate (CID 104645029) is methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate is COCCNC(=O)CCNCC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate?
The InChIKey is LNRRFJWWAOVRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-11(16,10(15)18-3)8-12-5-4-9(14)13-6-7-17-2/h12,16H,4-8H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate has a molecular weight of 262.31 g/mol, XLogP of -1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate is sourced from PubChem (CID 104645029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).