methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate

C7H13NO3 — CID 69465129

IUPACmethyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(CO)CN1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h5-6,8-9H,2-4H2,1H3
InChIKeyZXMQLGHERLPTFO-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.87
Rot. Bonds2

About methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate

methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate (PubChem CID 69465129) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
PubChem CID69465129
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(CO)CN1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h5-6,8-9H,2-4H2,1H3
InChIKeyZXMQLGHERLPTFO-UHFFFAOYSA-N
XLogP-0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate (CID 69465129) is methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate is COC(=O)C1CC(CO)CN1.
What is the InChIKey of methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is ZXMQLGHERLPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h5-6,8-9H,2-4H2,1H3.
What are the key properties of methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate?
methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(hydroxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 69465129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).