3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid

C12H22N2O4 — CID 63876085

IUPAC3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
SMILESCNCCC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-13-6-2-11(15)14-7-3-10(4-8-14)18-9-5-12(16)17/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeySYIXULSKKYBPIB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds7

About 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid

3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 63876085) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
PubChem CID63876085
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid
SMILESCNCCC(=O)N1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-13-6-2-11(15)14-7-3-10(4-8-14)18-9-5-12(16)17/h10,13H,2-9H2,1H3,(H,16,17)
InChIKeySYIXULSKKYBPIB-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-(methylamino)propan-1-one
CID 82696316
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-[2-(ethylamino)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63876082
3-[1-(3-methylsulfonylpropanoyl)piperidin-4-yl]oxypropanoic acid
CID 63876697
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
3-[1-[2-(dimethylamino)ethylcarbamoyl]piperidin-4-yl]oxypropanoic acid
CID 63875054
3-[1-(2-methylpropylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63877301
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-[1-(2-methylpropoxycarbonyl)piperidin-4-yl]oxypropanoic acid
CID 55251756
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid (CID 63876085) is 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid is CNCCC(=O)N1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is SYIXULSKKYBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-13-6-2-11(15)14-7-3-10(4-8-14)18-9-5-12(16)17/h10,13H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(methylamino)propanoyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63876085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).