(1-methylpyrrolidin-3-yl) 2-methylpropanoate

C9H17NO2 — CID 58333474

IUPAC(1-methylpyrrolidin-3-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCN(C)C1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-8-4-5-10(3)6-8/h7-8H,4-6H2,1-3H3
InChIKeyMYMPRMQCRVGEFU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds2

About (1-methylpyrrolidin-3-yl) 2-methylpropanoate

(1-methylpyrrolidin-3-yl) 2-methylpropanoate (PubChem CID 58333474) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 2-methylpropanoate
PubChem CID58333474
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1-methylpyrrolidin-3-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CCN(C)C1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)12-8-4-5-10(3)6-8/h7-8H,4-6H2,1-3H3
InChIKeyMYMPRMQCRVGEFU-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl 2-methylpropanoate
CID 54511576
[(3S)-1-methylpyrrolidin-3-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156835543
(1-methylpiperidin-4-yl) 2-sulfanylpropanoate
CID 107018228
(1-methylpyrrolidin-3-yl) 2-cyclopentylacetate
CID 142907839
ethane;(1-methylpyrrolidin-3-yl) 3-methyl-2-phenylhexanoate
CID 143465368
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522
(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
CID 137430030
(1-methylpyrrolidin-3-yl) 2-phenylacetate
CID 11127780
(1-methylpiperidin-4-yl) 2-(azetidin-3-yl)propanoate
CID 116682683
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-3-yl) 2-methylpropanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 2-methylpropanoate (CID 58333474) is (1-methylpyrrolidin-3-yl) 2-methylpropanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2-methylpropanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 2-methylpropanoate is CC(C)C(=O)OC1CCN(C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 2-methylpropanoate?
The InChIKey is MYMPRMQCRVGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)12-8-4-5-10(3)6-8/h7-8H,4-6H2,1-3H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 2-methylpropanoate?
(1-methylpyrrolidin-3-yl) 2-methylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 2-methylpropanoate is sourced from PubChem (CID 58333474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).