4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid

C14H22N2O5 — CID 119216347

IUPAC4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C14H22N2O5/c17-12-5-3-1-2-4-6-15(12)9-13(18)16-7-8-21-10-11(16)14(19)20/h11H,1-10H2,(H,19,20)
InChIKeyFDTHGRYFHZZPDP-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.09
Rot. Bonds3

About 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 119216347) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID119216347
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C14H22N2O5/c17-12-5-3-1-2-4-6-15(12)9-13(18)16-7-8-21-10-11(16)14(19)20/h11H,1-10H2,(H,19,20)
InChIKeyFDTHGRYFHZZPDP-UHFFFAOYSA-N
XLogP0.09
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
methyl 4-[2-(2-oxopyrrolidin-1-yl)acetyl]morpholine-3-carboxylate
CID 115670168
1-[2-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 95621430
4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150
1-[2-(2,5-dimethylmorpholin-4-yl)-2-oxoethyl]azocan-2-one
CID 51081736
(2S)-N,N-dimethyl-1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidine-2-carboxamide
CID 142010852
4-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]morpholine-3-carboxylic acid
CID 119216911
2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469
(3R)-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]morpholine-3-carboxylic acid
CID 125151737
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
4-(2-cyclopentylsulfonylacetyl)morpholine-3-carboxylic acid
CID 119216843
(3R)-4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]morpholine-3-carboxylic acid
CID 125152719

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid (CID 119216347) is 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)CN1CCCCCCC1=O.
What is the InChIKey of 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is FDTHGRYFHZZPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-12-5-3-1-2-4-6-15(12)9-13(18)16-7-8-21-10-11(16)14(19)20/h11H,1-10H2,(H,19,20).
What are the key properties of 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-oxoazocan-1-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).