methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate

C7H13NO3 — CID 89362381

IUPACmethyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](CO)CN1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyZXMQLGHERLPTFO-RITPCOANSA-N
MW159.18 g/mol
LogP-0.87
Rot. Bonds2

About methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate

methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate (PubChem CID 89362381) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate
PubChem CID89362381
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](CO)CN1
InChIInChI=1S/C7H13NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyZXMQLGHERLPTFO-RITPCOANSA-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

Analyze methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate (CID 89362381) is methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](CO)CN1.
What is the InChIKey of methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is ZXMQLGHERLPTFO-RITPCOANSA-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/t5-,6+/m1/s1.
What are the key properties of methyl (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate?
methyl (2S,4R)-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 (2S,4R)-4-(hydroxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 89362381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).