methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate

C13H21N3O5 — CID 115971562

IUPACmethyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H21N3O5/c1-13(2)11(19)16(12(20)14-13)5-4-15-7-8(17)6-9(15)10(18)21-3/h8-9,17H,4-7H2,1-3H3,(H,14,20)
InChIKeyMEEWJRRWRVWHON-UHFFFAOYSA-N
MW299.33 g/mol
LogP-1.08
Rot. Bonds4

About methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate

methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 115971562) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID115971562
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Namemethyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1CCN1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H21N3O5/c1-13(2)11(19)16(12(20)14-13)5-4-15-7-8(17)6-9(15)10(18)21-3/h8-9,17H,4-7H2,1-3H3,(H,14,20)
InChIKeyMEEWJRRWRVWHON-UHFFFAOYSA-N
XLogP-1.08
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,4R)-1-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 9237444
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
CID 112632826
methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
(2S)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61152118
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
methyl (4R)-4-hydroxy-1-[2-(2-methylpropylsulfanyl)ethyl]pyrrolidine-2-carboxylate
CID 102561828

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate (CID 115971562) is methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1CCN1C(=O)NC(C)(C)C1=O.
What is the InChIKey of methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is MEEWJRRWRVWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-13(2)11(19)16(12(20)14-13)5-4-15-7-8(17)6-9(15)10(18)21-3/h8-9,17H,4-7H2,1-3H3,(H,14,20).
What are the key properties of methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of -1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 115971562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).