methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate

C7H11NO5 — CID 156837656

IUPACmethyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C(C)C1(O)O
InChIInChI=1S/C7H11NO5/c1-3-5(9)8-4(6(10)13-2)7(3,11)12/h3-4,11-12H,1-2H3,(H,8,9)
InChIKeyAWZJRVZXGJQPJR-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.03
Rot. Bonds1

About methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate

methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 156837656) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID156837656
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Namemethyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1NC(=O)C(C)C1(O)O
InChIInChI=1S/C7H11NO5/c1-3-5(9)8-4(6(10)13-2)7(3,11)12/h3-4,11-12H,1-2H3,(H,8,9)
InChIKeyAWZJRVZXGJQPJR-UHFFFAOYSA-N
XLogP-2.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-oxopyrrolidine-2-carboxylic acid
CID 256625
2-(Methoxymethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 154814237
methyl (2S,3S,4S)-3-hydroxy-4-methylpyrrolidine-2-carboxylate
CID 13944542
(2S,3S,4R)-3,4-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 15604674
3-Methyl-5-oxoproline
CID 53888936
3-Ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 256626
L-Proline, 3-methyl-5-oxo-, (3S)-
CID 9812799
methyl (2S,3S)-3-methyl-5-oxopyrrolidine-2-carboxylate
CID 10241055
(3R)-3-Methyl-5-oxo-D-proline
CID 12968917
3-Hydroxy-5-oxo-2-pyrrolidinecarboxylic
CID 55287087
3,4-Dimethylpyroglutamic acid
CID 102126847
3-Oxy-5-oxo-l-proline
CID 129671169

Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate (CID 156837656) is methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)C1NC(=O)C(C)C1(O)O.
What is the InChIKey of methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is AWZJRVZXGJQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c1-3-5(9)8-4(6(10)13-2)7(3,11)12/h3-4,11-12H,1-2H3,(H,8,9).
What are the key properties of methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate?
methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 189.17 g/mol, XLogP of -2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dihydroxy-4-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 156837656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).