methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate

C10H18N2O4 — CID 106256600

IUPACmethyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNC1CCN(C)C1=O
InChIInChI=1S/C10H18N2O4/c1-10(15,9(14)16-3)6-11-7-4-5-12(2)8(7)13/h7,11,15H,4-6H2,1-3H3
InChIKeyFCRDFSOJPOGTCB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.27
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate

methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate (PubChem CID 106256600) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate
PubChem CID106256600
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)(O)CNC1CCN(C)C1=O
InChIInChI=1S/C10H18N2O4/c1-10(15,9(14)16-3)6-11-7-4-5-12(2)8(7)13/h7,11,15H,4-6H2,1-3H3
InChIKeyFCRDFSOJPOGTCB-UHFFFAOYSA-N
XLogP-1.27
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanamide
CID 106275991
2-hydroxy-2-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)propanamide
CID 106509766
methyl 2-hydroxy-2-methyl-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propanoate
CID 104644641
4-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]benzoic acid
CID 106252963
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113237119
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
3-[(4-hydroxycyclohexyl)methylamino]-1-methylpyrrolidin-2-one
CID 106133454
5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pentanamide
CID 106237309
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
CID 110025482
3-hydroxy-3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 106257873
3-[(3-hydroxy-4-methoxybutyl)amino]-1-methylpyrrolidin-2-one
CID 106246688

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate (CID 106256600) is methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate is COC(=O)C(C)(O)CNC1CCN(C)C1=O.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate?
The InChIKey is FCRDFSOJPOGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(15,9(14)16-3)6-11-7-4-5-12(2)8(7)13/h7,11,15H,4-6H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate has a molecular weight of 230.26 g/mol, XLogP of -1.27, 4 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-[(1-methyl-2-oxopyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 106256600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).