2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid

C12H14N2O3 — CID 61371830

IUPAC2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C12H14N2O3/c15-11(16)7-10-4-2-6-14(10)12(17)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2,(H,15,16)
InChIKeyMPZMRJOEWHPCEG-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.16
Rot. Bonds3

About 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371830) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61371830
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C12H14N2O3/c15-11(16)7-10-4-2-6-14(10)12(17)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2,(H,15,16)
InChIKeyMPZMRJOEWHPCEG-UHFFFAOYSA-N
XLogP1.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61371830) is 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1cccnc1.
What is the InChIKey of 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is MPZMRJOEWHPCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)7-10-4-2-6-14(10)12(17)9-3-1-5-13-8-9/h1,3,5,8,10H,2,4,6-7H2,(H,15,16).
What are the key properties of 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).