methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate

C9H16ClNO2 — CID 54569237

IUPACmethyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CCCCl
InChIInChI=1S/C9H16ClNO2/c1-13-9(12)8-4-2-6-11(8)7-3-5-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyZWBJZKHLXQXWGD-MRVPVSSYSA-N
MW205.68 g/mol
LogP1.25
Rot. Bonds4

About methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate

methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate (PubChem CID 54569237) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
PubChem CID54569237
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1CCCCl
InChIInChI=1S/C9H16ClNO2/c1-13-9(12)8-4-2-6-11(8)7-3-5-10/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyZWBJZKHLXQXWGD-MRVPVSSYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-1-(2-chloroethyl)pyrrolidine-2-carboxylate
CID 121475348
methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 62026927
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
methyl (2S)-1-[3-(4-cyanophenoxy)propyl]pyrrolidine-2-carboxylate
CID 97213800
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate (CID 54569237) is methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1CCCCl.
What is the InChIKey of methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate?
The InChIKey is ZWBJZKHLXQXWGD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-13-9(12)8-4-2-6-11(8)7-3-5-10/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate?
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate has a molecular weight of 205.68 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 54569237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).