methyl 3-hydroxypyrrolidine-1-carboxylate

C6H11NO3 — CID 14333526

IUPACmethyl 3-hydroxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(O)C1
InChIInChI=1S/C6H11NO3/c1-10-6(9)7-3-2-5(8)4-7/h5,8H,2-4H2,1H3
InChIKeyUTAOVTFSCMSWNC-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.18
Rot. Bonds

About methyl 3-hydroxypyrrolidine-1-carboxylate

methyl 3-hydroxypyrrolidine-1-carboxylate (PubChem CID 14333526) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxypyrrolidine-1-carboxylate
PubChem CID14333526
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-hydroxypyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(O)C1
InChIInChI=1S/C6H11NO3/c1-10-6(9)7-3-2-5(8)4-7/h5,8H,2-4H2,1H3
InChIKeyUTAOVTFSCMSWNC-UHFFFAOYSA-N
XLogP-0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-hydroxypyrrolidine-1-carboxylate (CID 14333526) is methyl 3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-hydroxypyrrolidine-1-carboxylate is COC(=O)N1CCC(O)C1.
What is the InChIKey of methyl 3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is UTAOVTFSCMSWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-10-6(9)7-3-2-5(8)4-7/h5,8H,2-4H2,1H3.
What are the key properties of methyl 3-hydroxypyrrolidine-1-carboxylate?
methyl 3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 14333526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).