(5-aminopyrrolidin-3-yl) 2-methylpropanoate

C8H16N2O2 — CID 138733823

IUPAC(5-aminopyrrolidin-3-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CNC(N)C1
InChIInChI=1S/C8H16N2O2/c1-5(2)8(11)12-6-3-7(9)10-4-6/h5-7,10H,3-4,9H2,1-2H3
InChIKeyWFPGRXBKBWMZPL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.17
Rot. Bonds2

About (5-aminopyrrolidin-3-yl) 2-methylpropanoate

(5-aminopyrrolidin-3-yl) 2-methylpropanoate (PubChem CID 138733823) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (5-aminopyrrolidin-3-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(5-aminopyrrolidin-3-yl) 2-methylpropanoate
PubChem CID138733823
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(5-aminopyrrolidin-3-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1CNC(N)C1
InChIInChI=1S/C8H16N2O2/c1-5(2)8(11)12-6-3-7(9)10-4-6/h5-7,10H,3-4,9H2,1-2H3
InChIKeyWFPGRXBKBWMZPL-UHFFFAOYSA-N
XLogP-0.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 2-methylpropanoate
CID 54511576
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
piperidin-3-yl 2-methylpropanoate
CID 53409773
(3,3-dimethylcyclobutyl) 2-methylpropanoate
CID 130735356
(1,5-dimethylpyrrolidin-3-yl) 2-methylpropanoate
CID 137430030
(3-cyanocyclopentyl) 2-methylpropanoate
CID 130891652
bis(cyclobutyl 2-methylpropanoate);propan-2-yl 2-methylpropanoate
CID 160656164
[(1S,3R,4R,6S)-2-hydroxy-3,4,5,6-tetrakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 93045526
[4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexyl] 2-methylpropanoate
CID 150017281
(3,3-difluorocyclopentyl) 2-methylpropanoate
CID 155710616
(3-oxocyclopentyl) 2-methylpropanoate
CID 118886289
(1-methylpyrrolidin-3-yl) 2-methylpropanoate
CID 58333474

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrrolidin-3-yl) 2-methylpropanoate?
The IUPAC name of (5-aminopyrrolidin-3-yl) 2-methylpropanoate (CID 138733823) is (5-aminopyrrolidin-3-yl) 2-methylpropanoate.
What is the SMILES notation for (5-aminopyrrolidin-3-yl) 2-methylpropanoate?
The canonical SMILES for (5-aminopyrrolidin-3-yl) 2-methylpropanoate is CC(C)C(=O)OC1CNC(N)C1.
What is the InChIKey of (5-aminopyrrolidin-3-yl) 2-methylpropanoate?
The InChIKey is WFPGRXBKBWMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5(2)8(11)12-6-3-7(9)10-4-6/h5-7,10H,3-4,9H2,1-2H3.
What are the key properties of (5-aminopyrrolidin-3-yl) 2-methylpropanoate?
(5-aminopyrrolidin-3-yl) 2-methylpropanoate has a molecular weight of 172.23 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrrolidin-3-yl) 2-methylpropanoate is sourced from PubChem (CID 138733823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).