2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid

C14H17N3O3 — CID 107340584

IUPAC2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CC3CCC2C3)cn1
InChIInChI=1S/C14H17N3O3/c18-13(19)6-10-2-3-11(7-15-10)16-14(20)17-8-9-1-4-12(17)5-9/h2-3,7,9,12H,1,4-6,8H2,(H,16,20)(H,18,19)
InChIKeyHZNPOGYDHARZTP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.72
Rot. Bonds3

About 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid

2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid (PubChem CID 107340584) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid
PubChem CID107340584
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CC3CCC2C3)cn1
InChIInChI=1S/C14H17N3O3/c18-13(19)6-10-2-3-11(7-15-10)16-14(20)17-8-9-1-4-12(17)5-9/h2-3,7,9,12H,1,4-6,8H2,(H,16,20)(H,18,19)
InChIKeyHZNPOGYDHARZTP-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
CID 107340448
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107340803
3-[2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)phenyl]propanoic acid
CID 107274049
N-[2-(2-phenoxyethoxy)phenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156607656
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(piperidin-4-ylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107340537
2-[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)furan-2-yl]acetic acid
CID 114217784
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-azabicyclo[2.2.1]heptan-2-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642424
2-[5-[(2-methylcyclopentyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340676
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid (CID 107340584) is 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)N2CC3CCC2C3)cn1.
What is the InChIKey of 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid?
The InChIKey is HZNPOGYDHARZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-13(19)6-10-2-3-11(7-15-10)16-14(20)17-8-9-1-4-12(17)5-9/h2-3,7,9,12H,1,4-6,8H2,(H,16,20)(H,18,19).
What are the key properties of 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid?
2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).