methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate

C8H14ClNO2 — CID 121475348

IUPACmethyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CCCl
InChIInChI=1S/C8H14ClNO2/c1-12-8(11)7-3-2-5-10(7)6-4-9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyPNIPIXREQVPOAI-SSDOTTSWSA-N
MW191.66 g/mol
LogP0.86
Rot. Bonds3

About methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate

methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate (PubChem CID 121475348) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
PubChem CID121475348
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CCCl
InChIInChI=1S/C8H14ClNO2/c1-12-8(11)7-3-2-5-10(7)6-4-9/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyPNIPIXREQVPOAI-SSDOTTSWSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl (2R)-1-(2-chloroethyl)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

Related Compounds

methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl (2S)-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 167424359
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate (CID 121475348) is methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1CCCl.
What is the InChIKey of methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate?
The InChIKey is PNIPIXREQVPOAI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-12-8(11)7-3-2-5-10(7)6-4-9/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate has a molecular weight of 191.66 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 121475348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).