2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid

C15H21N3O3 — CID 107340448

IUPAC2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CCCCCCC2)cn1
InChIInChI=1S/C15H21N3O3/c19-14(20)10-12-6-7-13(11-16-12)17-15(21)18-8-4-2-1-3-5-9-18/h6-7,11H,1-5,8-10H2,(H,17,21)(H,19,20)
InChIKeyFOQLZGYNJZPQBP-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.51
Rot. Bonds3

About 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid

2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid (PubChem CID 107340448) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
PubChem CID107340448
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)N2CCCCCCC2)cn1
InChIInChI=1S/C15H21N3O3/c19-14(20)10-12-6-7-13(11-16-12)17-15(21)18-8-4-2-1-3-5-9-18/h6-7,11H,1-5,8-10H2,(H,17,21)(H,19,20)
InChIKeyFOQLZGYNJZPQBP-UHFFFAOYSA-N
XLogP2.51
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
2-[5-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-2-pyridinyl]acetic acid
CID 107340584
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
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
2-[4-(pyrrolidine-1-carbonylamino)phenoxy]acetic acid
CID 63772208
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid (CID 107340448) is 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)N2CCCCCCC2)cn1.
What is the InChIKey of 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid?
The InChIKey is FOQLZGYNJZPQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(20)10-12-6-7-13(11-16-12)17-15(21)18-8-4-2-1-3-5-9-18/h6-7,11H,1-5,8-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid?
2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azocane-1-carbonylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).