methyl (2S)-2-methylpyrrolidine-2-carboxylate

C7H13NO2 — CID 10535362

IUPACmethyl (2S)-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C)CCCN1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10-2)4-3-5-8-7/h8H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyCCNBDZFBJCGDIV-ZETCQYMHSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

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

methyl (2S)-2-methylpyrrolidine-2-carboxylate (PubChem CID 10535362) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (2S)-2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-methylpyrrolidine-2-carboxylate
PubChem CID10535362
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (2S)-2-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C)CCCN1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10-2)4-3-5-8-7/h8H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyCCNBDZFBJCGDIV-ZETCQYMHSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl DL-prolinate
CID 94239
2-Methylpyrrolidine-2-carboxylic acid
CID 95491
4-Methylproline
CID 352051
Methyl D-prolinate
CID 853476
2-Methyl-L-proline
CID 6993664
L-Proline, ethyl ester
CID 79888
Ethyl pyrrolidine-2-carboxylate
CID 550673
methyl L-prolinate hydrochloride
CID 2733200
Methyl D-prolinate hydrochloride
CID 44629857
methyl (2S)-2-methylpyrrolidine-2-carboxylate hydrochloride
CID 57516455
Methyl L-prolinate
CID 853477
ethyl (2R)-pyrrolidine-2-carboxylate
CID 11499235

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-2-methylpyrrolidine-2-carboxylate (CID 10535362) is methyl (2S)-2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-2-methylpyrrolidine-2-carboxylate is COC(=O)[C@]1(C)CCCN1.
What is the InChIKey of methyl (2S)-2-methylpyrrolidine-2-carboxylate?
The InChIKey is CCNBDZFBJCGDIV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(6(9)10-2)4-3-5-8-7/h8H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-methylpyrrolidine-2-carboxylate?
methyl (2S)-2-methylpyrrolidine-2-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 10535362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).