2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid

C11H14N2O2 — CID 66880578

IUPAC2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
SMILESO=C(O)CC1CCN(c2ccccn2)C1
InChIInChI=1S/C11H14N2O2/c14-11(15)7-9-4-6-13(8-9)10-3-1-2-5-12-10/h1-3,5,9H,4,6-8H2,(H,14,15)
InChIKeyBLCIIOMHGZLMBV-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.38
Rot. Bonds3

About 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid

2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid (PubChem CID 66880578) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
PubChem CID66880578
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
SMILESO=C(O)CC1CCN(c2ccccn2)C1
InChIInChI=1S/C11H14N2O2/c14-11(15)7-9-4-6-13(8-9)10-3-1-2-5-12-10/h1-3,5,9H,4,6-8H2,(H,14,15)
InChIKeyBLCIIOMHGZLMBV-UHFFFAOYSA-N
XLogP1.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
2-[1-(3-methylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114598312
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
CID 134430978
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
2,4,6-trimethyl-3-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzoic acid
CID 158085610
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
2-[1-(1H-indazol-3-yl)pyrrolidin-3-yl]acetic acid
CID 82622618

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid (CID 66880578) is 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid is O=C(O)CC1CCN(c2ccccn2)C1.
What is the InChIKey of 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid?
The InChIKey is BLCIIOMHGZLMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)7-9-4-6-13(8-9)10-3-1-2-5-12-10/h1-3,5,9H,4,6-8H2,(H,14,15).
What are the key properties of 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid?
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid has a molecular weight of 206.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 66880578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).