(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid

C14H20N2O2 — CID 178087255

IUPAC(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C14H20N2O2/c1-10(2)13(14(17)18)16-9-5-7-12(16)11-6-3-4-8-15-11/h3-4,6,8,10,12-13H,5,7,9H2,1-2H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyWZXCTUYOOSBNJF-OLZOCXBDSA-N
MW248.33 g/mol
LogP2.33
Rot. Bonds4

About (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid

(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid (PubChem CID 178087255) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid
PubChem CID178087255
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid
SMILESCC(C)[C@@H](C(=O)O)N1CCC[C@@H]1c1ccccn1
InChIInChI=1S/C14H20N2O2/c1-10(2)13(14(17)18)16-9-5-7-12(16)11-6-3-4-8-15-11/h3-4,6,8,10,12-13H,5,7,9H2,1-2H3,(H,17,18)/t12-,13+/m1/s1
InChIKeyWZXCTUYOOSBNJF-OLZOCXBDSA-N
XLogP2.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
2-[1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 155011325
2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 40637940
(E)-3-phenyl-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]but-2-en-1-one
CID 94645878
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 73440457
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
1-propan-2-yl-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 59706248
benzyl (2S)-2-pyridin-2-ylpyrrolidine-1-carboxylate
CID 14814122
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid (CID 178087255) is (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid is CC(C)[C@@H](C(=O)O)N1CCC[C@@H]1c1ccccn1.
What is the InChIKey of (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid?
The InChIKey is WZXCTUYOOSBNJF-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)13(14(17)18)16-9-5-7-12(16)11-6-3-4-8-15-11/h3-4,6,8,10,12-13H,5,7,9H2,1-2H3,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid?
(2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 178087255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).