2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid

C13H24N2O4 — CID 82851206

IUPAC2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(N)CCCC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-10(14)3-2-4-12(16)15-7-5-11(6-8-15)19-9-13(17)18/h10-11H,2-9,14H2,1H3,(H,17,18)
InChIKeyNGMMSKKXRLGAIY-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.60
Rot. Bonds7

About 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid

2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 82851206) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
PubChem CID82851206
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
SMILESCC(N)CCCC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C13H24N2O4/c1-10(14)3-2-4-12(16)15-7-5-11(6-8-15)19-9-13(17)18/h10-11H,2-9,14H2,1H3,(H,17,18)
InChIKeyNGMMSKKXRLGAIY-UHFFFAOYSA-N
XLogP0.60
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
4-amino-1-[4-(2-methylpropoxy)piperidin-1-yl]pentan-1-one;hydrochloride
CID 120561009
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
2-[1-(4-methylpentyl)piperidin-4-yl]oxyacetic acid
CID 83158487
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
CID 114271824
5-amino-1-(4-ethoxypiperidin-1-yl)-4-methylpentan-1-one
CID 82010948
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
8-amino-1-[4-(1-azacyclohept-4-yn-1-yl)piperidin-1-yl]nonan-1-one
CID 167071443
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid (CID 82851206) is 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid is CC(N)CCCC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is NGMMSKKXRLGAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(14)3-2-4-12(16)15-7-5-11(6-8-15)19-9-13(17)18/h10-11H,2-9,14H2,1H3,(H,17,18).
What are the key properties of 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 272.34 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 82851206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).