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

C10H19NO2 — CID 164547816

IUPAC[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-4-5-10(11)7-13-9(3)12/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyNZMNVQMOPMZXPS-JTQLQIEISA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

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

[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate (PubChem CID 164547816) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
PubChem CID164547816
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-4-5-10(11)7-13-9(3)12/h8,10H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyNZMNVQMOPMZXPS-JTQLQIEISA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366481
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
(1-propan-2-ylazetidin-2-yl)methyl carbamate
CID 175128148
1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
6-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]hexanoic acid
CID 174164475
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
(E)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]pent-3-en-2-one
CID 170366422
4-methyl-1-[(1-propan-2-ylpiperidin-2-yl)methoxy]pentan-3-one
CID 167242279
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate?
The IUPAC name of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate (CID 164547816) is [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate.
What is the SMILES notation for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate?
The canonical SMILES for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate is CC(=O)OC[C@@H]1CCCN1C(C)C.
What is the InChIKey of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate?
The InChIKey is NZMNVQMOPMZXPS-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-6-4-5-10(11)7-13-9(3)12/h8,10H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate?
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate is sourced from PubChem (CID 164547816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).