2-methylpropanoic acid;pyrrolidine

C8H17NO2 — CID 159831981

IUPAC2-methylpropanoic acid;pyrrolidine
SMILESC1CCNC1.CC(C)C(=O)O
InChIInChI=1S/C4H9N.C4H8O2/c1-2-4-5-3-1;1-3(2)4(5)6/h5H,1-4H2;3H,1-2H3,(H,5,6)
InChIKeyNNOODDANWGOUGQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds1

About 2-methylpropanoic acid;pyrrolidine

2-methylpropanoic acid;pyrrolidine (PubChem CID 159831981) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-methylpropanoic acid;pyrrolidine.

Molecular Properties

Compound Name2-methylpropanoic acid;pyrrolidine
PubChem CID159831981
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-methylpropanoic acid;pyrrolidine
SMILESC1CCNC1.CC(C)C(=O)O
InChIInChI=1S/C4H9N.C4H8O2/c1-2-4-5-3-1;1-3(2)4(5)6/h5H,1-4H2;3H,1-2H3,(H,5,6)
InChIKeyNNOODDANWGOUGQ-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropanoic acid;pyrrolidine?
The IUPAC name of 2-methylpropanoic acid;pyrrolidine (CID 159831981) is 2-methylpropanoic acid;pyrrolidine.
What is the SMILES notation for 2-methylpropanoic acid;pyrrolidine?
The canonical SMILES for 2-methylpropanoic acid;pyrrolidine is C1CCNC1.CC(C)C(=O)O.
What is the InChIKey of 2-methylpropanoic acid;pyrrolidine?
The InChIKey is NNOODDANWGOUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.C4H8O2/c1-2-4-5-3-1;1-3(2)4(5)6/h5H,1-4H2;3H,1-2H3,(H,5,6).
What are the key properties of 2-methylpropanoic acid;pyrrolidine?
2-methylpropanoic acid;pyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropanoic acid;pyrrolidine is sourced from PubChem (CID 159831981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).