methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate

C11H21NO2 — CID 162750775

IUPACmethyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)12-8-4-5-10(12)6-7-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeySJFSFQQZONAMFP-JTQLQIEISA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds4

About methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate

methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate (PubChem CID 162750775) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
PubChem CID162750775
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)12-8-4-5-10(12)6-7-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeySJFSFQQZONAMFP-JTQLQIEISA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate (CID 162750775) is methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate is COC(=O)CC[C@@H]1CCCN1C(C)C.
What is the InChIKey of methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate?
The InChIKey is SJFSFQQZONAMFP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)12-8-4-5-10(12)6-7-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate?
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate is sourced from PubChem (CID 162750775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).