2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid

C14H19N3O3 — CID 81050331

IUPAC2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESCc1cc(N2CCCC2CC(=O)O)c(C(N)=O)c(C)n1
InChIInChI=1S/C14H19N3O3/c1-8-6-11(13(14(15)20)9(2)16-8)17-5-3-4-10(17)7-12(18)19/h6,10H,3-5,7H2,1-2H3,(H2,15,20)(H,18,19)
InChIKeyFDWADHWQZIZLTO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.24
Rot. Bonds4

About 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid

2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid (PubChem CID 81050331) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
PubChem CID81050331
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
SMILESCc1cc(N2CCCC2CC(=O)O)c(C(N)=O)c(C)n1
InChIInChI=1S/C14H19N3O3/c1-8-6-11(13(14(15)20)9(2)16-8)17-5-3-4-10(17)7-12(18)19/h6,10H,3-5,7H2,1-2H3,(H2,15,20)(H,18,19)
InChIKeyFDWADHWQZIZLTO-UHFFFAOYSA-N
XLogP1.24
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid (CID 81050331) is 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid is Cc1cc(N2CCCC2CC(=O)O)c(C(N)=O)c(C)n1.
What is the InChIKey of 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is FDWADHWQZIZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-8-6-11(13(14(15)20)9(2)16-8)17-5-3-4-10(17)7-12(18)19/h6,10H,3-5,7H2,1-2H3,(H2,15,20)(H,18,19).
What are the key properties of 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid?
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 81050331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).