(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate

C9H17NO3 — CID 130129550

IUPAC(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC1O
InChIInChI=1S/C9H17NO3/c1-9(2,3)8(12)13-10-6-4-5-7(10)11/h7,11H,4-6H2,1-3H3
InChIKeyOMUCPZWLNHZUDX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.90
Rot. Bonds1

About (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate

(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate (PubChem CID 130129550) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
PubChem CID130129550
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC1O
InChIInChI=1S/C9H17NO3/c1-9(2,3)8(12)13-10-6-4-5-7(10)11/h7,11H,4-6H2,1-3H3
InChIKeyOMUCPZWLNHZUDX-UHFFFAOYSA-N
XLogP0.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropane;formaldehyde;[(2S)-2-hydroxypyrrolidin-1-yl] acetate;2-methylpropane
CID 142048035
[(2S)-2-(methylsulfonyloxymethyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174811572
[2-(2-cyanoacetyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174878117
[2-(methylcarbamoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174530094
[2-(aminomethyl)azetidin-1-yl] 2,2-dimethylpropanoate
CID 168867812
[(2S)-2-(3,5-difluorobenzoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174973192
[(3S)-3-sulfanylpiperidin-1-yl] 2,2-dimethylpropanoate
CID 175267538
[(2R)-2-(1-amino-4-cyanobutyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 175605791
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[(2R)-2-[3,4,5-tris(fluoromethyl)benzoyl]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174973133
[(2S)-2-[2-(3-phenoxyphenoxy)ethyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 175287660

Frequently Asked Questions

What is the IUPAC name of (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate?
The IUPAC name of (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate (CID 130129550) is (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCCC1O.
What is the InChIKey of (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate?
The InChIKey is OMUCPZWLNHZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)8(12)13-10-6-4-5-7(10)11/h7,11H,4-6H2,1-3H3.
What are the key properties of (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate?
(2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 130129550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).