methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate

C12H22N2O4 — CID 104645030

IUPACmethyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNCCC(=O)N1CCCC1
InChIInChI=1S/C12H22N2O4/c1-12(17,11(16)18-2)9-13-6-5-10(15)14-7-3-4-8-14/h13,17H,3-9H2,1-2H3
InChIKeyMXEVAUIEAHOPFR-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.49
Rot. Bonds6

About methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate

methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate (PubChem CID 104645030) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate
PubChem CID104645030
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNCCC(=O)N1CCCC1
InChIInChI=1S/C12H22N2O4/c1-12(17,11(16)18-2)9-13-6-5-10(15)14-7-3-4-8-14/h13,17H,3-9H2,1-2H3
InChIKeyMXEVAUIEAHOPFR-UHFFFAOYSA-N
XLogP-0.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate with MolForge

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Related Compounds

methyl 2-hydroxy-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 104645029
3-(2-ethylsulfanylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115647680
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
3-[2-(dimethylamino)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013258
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440
3-[(1-methylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62655429
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
5-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 170029920
2-[(2-methylpropan-2-yl)oxy]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 112626628
1-tert-butyl-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 115692831
3-(2-methylsulfonylethylamino)-1-piperidin-1-ylpropan-1-one
CID 112686467

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate (CID 104645030) is methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate is COC(=O)C(C)(O)CNCCC(=O)N1CCCC1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate?
The InChIKey is MXEVAUIEAHOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(17,11(16)18-2)9-13-6-5-10(15)14-7-3-4-8-14/h13,17H,3-9H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate has a molecular weight of 258.32 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanoate is sourced from PubChem (CID 104645030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).