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

C10H20N2O3 — CID 63904578

IUPAC3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
SMILESNCCN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c11-4-7-12-5-1-9(2-6-12)15-8-3-10(13)14/h9H,1-8,11H2,(H,13,14)
InChIKeyBYYOCANRRSZLDE-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds6

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

3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63904578) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63904578
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
SMILESNCCN1CCC(OCCC(=O)O)CC1
InChIInChI=1S/C10H20N2O3/c11-4-7-12-5-1-9(2-6-12)15-8-3-10(13)14/h9H,1-8,11H2,(H,13,14)
InChIKeyBYYOCANRRSZLDE-UHFFFAOYSA-N
XLogP-0.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
3-(1-pent-3-ynylpiperidin-4-yl)oxypropanoic acid
CID 104808769
3-[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63905147
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
CID 63904193
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 63903233
3-[1-(methylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 63874882
3-[1-(4-aminopiperidine-1-carbonyl)piperidin-4-yl]oxypropanoic acid
CID 63875586
3-cyclopentyloxypropanoic acid
CID 24706641
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65213724

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid (CID 63904578) is 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid is NCCN1CCC(OCCC(=O)O)CC1.
What is the InChIKey of 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is BYYOCANRRSZLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c11-4-7-12-5-1-9(2-6-12)15-8-3-10(13)14/h9H,1-8,11H2,(H,13,14).
What are the key properties of 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63904578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).