methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate

C9H17NO3 — CID 95970335

IUPACmethyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate
SMILESCOCC[C@]1(C(=O)OC)CCNC1
InChIInChI=1S/C9H17NO3/c1-12-6-4-9(8(11)13-2)3-5-10-7-9/h10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyRQFPHTMKMAWSNB-SECBINFHSA-N
MW187.24 g/mol
LogP0.18
Rot. Bonds4

About methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate

methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate (PubChem CID 95970335) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate
PubChem CID95970335
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate
SMILESCOCC[C@]1(C(=O)OC)CCNC1
InChIInChI=1S/C9H17NO3/c1-12-6-4-9(8(11)13-2)3-5-10-7-9/h10H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyRQFPHTMKMAWSNB-SECBINFHSA-N
XLogP0.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethyl)piperidine-4-carboxylic acid;hydrochloride
CID 67624891
methyl 3-(methylsulfonylmethyl)pyrrolidine-3-carboxylate
CID 167723601
ethyl 4-(2-methoxyethyl)piperidine-4-carboxylate
CID 56753969
3-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63141172
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate
CID 166000123
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-ethylpyrrolidine-3-carboxylate
CID 104562939
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
methyl (3S)-5-(2,2-dimethylpropyl)-3-(2-methoxyethyl)piperidine-3-carboxylate;molecular hydrogen
CID 178133379
methyl (3R)-3-(4,4-difluorobutyl)piperidine-3-carboxylate
CID 178133958
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143518
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate (CID 95970335) is methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate is COCC[C@]1(C(=O)OC)CCNC1.
What is the InChIKey of methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate?
The InChIKey is RQFPHTMKMAWSNB-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-6-4-9(8(11)13-2)3-5-10-7-9/h10H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate?
methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 95970335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).