3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid

C14H26N2O4 — CID 63904959

IUPAC3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
SMILESCCCCNC(=O)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-2-3-7-15-13(17)11-16-8-4-12(5-9-16)20-10-6-14(18)19/h12H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyQYOGSQKSTOQXJJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.86
Rot. Bonds9

About 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid

3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63904959) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63904959
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
SMILESCCCCNC(=O)CN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-2-3-7-15-13(17)11-16-8-4-12(5-9-16)20-10-6-14(18)19/h12H,2-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyQYOGSQKSTOQXJJ-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid
CID 63902664
N-butyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847877
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
CID 63904193
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
2-(4-methylpiperidin-1-yl)-N-pentylacetamide
CID 108993711
4-[[2-(4-ethoxycarbonylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 62027456
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid (CID 63904959) is 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid is CCCCNC(=O)CN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is QYOGSQKSTOQXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-7-15-13(17)11-16-8-4-12(5-9-16)20-10-6-14(18)19/h12H,2-11H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(butylamino)-2-oxoethyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63904959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).