2-methyl-2-pyrrolidin-3-ylpropanoic acid

C8H15NO2 — CID 82652022

IUPAC2-methyl-2-pyrrolidin-3-ylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCNC1
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)6-3-4-9-5-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyDBVKSSYWZMNGIQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.71
Rot. Bonds2

About 2-methyl-2-pyrrolidin-3-ylpropanoic acid

2-methyl-2-pyrrolidin-3-ylpropanoic acid (PubChem CID 82652022) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-3-ylpropanoic acid
PubChem CID82652022
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methyl-2-pyrrolidin-3-ylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCNC1
InChIInChI=1S/C8H15NO2/c1-8(2,7(10)11)6-3-4-9-5-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyDBVKSSYWZMNGIQ-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-pyrrolidin-3-ylpropanamide;hydrochloride
CID 118918407
methyl 2-methyl-2-[(3S)-pyrrolidin-3-yl]propanoate;2,2,2-trifluoroacetic acid
CID 175791959
3-fluoro-3-pyrrolidin-3-ylbutanoic acid
CID 105436039
2-[(3S)-pyrrolidin-3-yl]propan-2-ol;sulfane
CID 160675736
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749
(3R)-3-(1,1-difluoroethyl)pyrrolidine
CID 154810011
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
CID 83199342
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
4-(1-fluoro-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115042008
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-3-ylpropanoic acid?
The IUPAC name of 2-methyl-2-pyrrolidin-3-ylpropanoic acid (CID 82652022) is 2-methyl-2-pyrrolidin-3-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyrrolidin-3-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyrrolidin-3-ylpropanoic acid is CC(C)(C(=O)O)C1CCNC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-3-ylpropanoic acid?
The InChIKey is DBVKSSYWZMNGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2,7(10)11)6-3-4-9-5-6/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-methyl-2-pyrrolidin-3-ylpropanoic acid?
2-methyl-2-pyrrolidin-3-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-3-ylpropanoic acid is sourced from PubChem (CID 82652022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).