2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate

C11H21NO2 — CID 174748022

IUPAC2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC[C@@H]1CCNC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13)14-7-5-9-4-6-12-8-9/h9,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyRRIVNJPEYAOJRQ-VIFPVBQESA-N
MW199.29 g/mol
LogP1.58
Rot. Bonds3

About 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate

2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate (PubChem CID 174748022) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
PubChem CID174748022
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC[C@@H]1CCNC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)10(13)14-7-5-9-4-6-12-8-9/h9,12H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyRRIVNJPEYAOJRQ-VIFPVBQESA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912
2-pyrrolidin-3-ylethyl N-methylcarbamate
CID 114796629
2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
3-(2-pyrrolidin-3-ylethoxy)propanamide
CID 114795988
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
2-piperidin-4-ylethyl propanoate
CID 53408774
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
2,2-dimethyl-N-(pyrrolidin-3-ylmethyl)propanamide
CID 58790353
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate (CID 174748022) is 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC[C@@H]1CCNC1.
What is the InChIKey of 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate?
The InChIKey is RRIVNJPEYAOJRQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)10(13)14-7-5-9-4-6-12-8-9/h9,12H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate?
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174748022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).