ethyl (2S)-2-methylpyrrolidine-2-carboxylate

C8H15NO2 — CID 45115906

IUPACethyl (2S)-2-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@]1(C)CCCN1
InChIInChI=1S/C8H15NO2/c1-3-11-7(10)8(2)5-4-6-9-8/h9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyGFZALZKFOASWKW-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About ethyl (2S)-2-methylpyrrolidine-2-carboxylate

ethyl (2S)-2-methylpyrrolidine-2-carboxylate (PubChem CID 45115906) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl (2S)-2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-methylpyrrolidine-2-carboxylate
PubChem CID45115906
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl (2S)-2-methylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@]1(C)CCCN1
InChIInChI=1S/C8H15NO2/c1-3-11-7(10)8(2)5-4-6-9-8/h9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyGFZALZKFOASWKW-QMMMGPOBSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropylethyl 2-methylpyrrolidine-2-carboxylate
CID 106202469
2-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70318917
cyclopropylmethyl 2-methylpiperidine-2-carboxylate
CID 104597704
1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
CID 103489015
4-methylpentyl 2-methylpiperidine-2-carboxylate
CID 104597728
2-methoxy-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580438
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
(3,5-dimethylcyclohexyl) 2-methylpyrrolidine-2-carboxylate
CID 64732817
(4-methylcyclohexyl) 2-methylpiperidine-2-carboxylate
CID 104597712
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
ethyl 2-benzylpyrrolidine-2-carboxylate
CID 75525875
2-ethoxycarbonyl-4,4-dimethylpiperidine-2-carboxylic acid
CID 67835245

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-methylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-2-methylpyrrolidine-2-carboxylate (CID 45115906) is ethyl (2S)-2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-2-methylpyrrolidine-2-carboxylate is CCOC(=O)[C@]1(C)CCCN1.
What is the InChIKey of ethyl (2S)-2-methylpyrrolidine-2-carboxylate?
The InChIKey is GFZALZKFOASWKW-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-7(10)8(2)5-4-6-9-8/h9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-methylpyrrolidine-2-carboxylate?
ethyl (2S)-2-methylpyrrolidine-2-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 45115906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).