methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate

C9H17NO2 — CID 102329917

IUPACmethyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCC[C@H]1C
InChIInChI=1S/C9H17NO2/c1-7-5-4-6-10(7)8(2)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyGILAYOHQUIFTCC-SFYZADRCSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate

methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate (PubChem CID 102329917) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
PubChem CID102329917
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)N1CCC[C@H]1C
InChIInChI=1S/C9H17NO2/c1-7-5-4-6-10(7)8(2)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyGILAYOHQUIFTCC-SFYZADRCSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
methyl 2-[(2R)-2,4-dimethylpiperazin-1-yl]propanoate
CID 135240223
3-(2-methylpyrrolidin-1-yl)butanehydrazide
CID 63569163
N'-hydroxy-2-(2-methylpyrrolidin-1-yl)propanimidamide
CID 76915071
dimethyl 2-methylidene-3-(2-methylpiperidin-1-yl)butanedioate
CID 10753507
methyl 3-(2-methylpiperidin-1-yl)butanoate
CID 43537243
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
methyl 2-(2-azabicyclo[2.2.2]octan-2-yl)propanoate
CID 130595097
3-methoxy-2-(2-methylazepan-1-yl)propanehydrazide
CID 103229712
1-(4-bromophenyl)-2-(2-methylpyrrolidin-1-yl)propan-1-one
CID 54882483
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate (CID 102329917) is methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate is COC(=O)[C@H](C)N1CCC[C@H]1C.
What is the InChIKey of methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate?
The InChIKey is GILAYOHQUIFTCC-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-5-4-6-10(7)8(2)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate?
methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2R)-2-methylpyrrolidin-1-yl]propanoate is sourced from PubChem (CID 102329917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).