methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C9H16N2O4 — CID 72693049

IUPACmethyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCNC(=O)CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C9H16N2O4/c1-10-8(13)5-11-4-6(12)3-7(11)9(14)15-2/h6-7,12H,3-5H2,1-2H3,(H,10,13)
InChIKeyVMPHLRRFNHQFEM-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.66
Rot. Bonds3

About methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 72693049) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID72693049
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Namemethyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCNC(=O)CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C9H16N2O4/c1-10-8(13)5-11-4-6(12)3-7(11)9(14)15-2/h6-7,12H,3-5H2,1-2H3,(H,10,13)
InChIKeyVMPHLRRFNHQFEM-UHFFFAOYSA-N
XLogP-1.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Prolylhydroxyproline
CID 11902893
Pro-Hyp zwitterion
CID 11902892
Gly-Hyp-Glu
CID 11902976
Thr-Pro
CID 9834371
Leucyl-4-hydroxyproline
CID 21777566
Asparaginyl-Hydroxyproline
CID 156908025
Glycyl-prolyl-hydroxyproline
CID 11778669
Methyl 1-[(cyclohexylamino)carbonyl]-4-hydroxy-2-pyrrolidinecarboxylate
CID 3296025
(2S)-1-[(2R)-2-(1-carboxyethylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 44368523
(2S,4S)-4-butan-2-yloxypyrrolidine-2-carboxylic acid
CID 54582775
1-(Boc-L-valyl)-(4R)-4-hydroxy-L-proline
CID 10568416
(2S,4R)-methyl 1-acetyl-4-hydroxypyrrolidine-2-carboxylate
CID 14104451

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 72693049) is methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is CNC(=O)CN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is VMPHLRRFNHQFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-10-8(13)5-11-4-6(12)3-7(11)9(14)15-2/h6-7,12H,3-5H2,1-2H3,(H,10,13).
What are the key properties of methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 72693049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).