methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate

C7H13NO3 — CID 130738551

IUPACmethyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC(C)C(O)C1
InChIInChI=1S/C7H13NO3/c1-5-3-8(4-6(5)9)7(10)11-2/h5-6,9H,3-4H2,1-2H3
InChIKeyPIJDVSSYKADHGJ-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.07
Rot. Bonds

About methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate

methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate (PubChem CID 130738551) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
PubChem CID130738551
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CC(C)C(O)C1
InChIInChI=1S/C7H13NO3/c1-5-3-8(4-6(5)9)7(10)11-2/h5-6,9H,3-4H2,1-2H3
InChIKeyPIJDVSSYKADHGJ-UHFFFAOYSA-N
XLogP0.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate (CID 130738551) is methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate is COC(=O)N1CC(C)C(O)C1.
What is the InChIKey of methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate?
The InChIKey is PIJDVSSYKADHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5-3-8(4-6(5)9)7(10)11-2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate?
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate has a molecular weight of 159.18 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 130738551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).