3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid

C10H20N2O3 — CID 64696034

IUPAC3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
SMILESCCOC1CCCN(C(CN)C(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-2-15-8-4-3-5-12(7-8)9(6-11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyDONBPPYOORKIFA-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.10
Rot. Bonds5

About 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid

3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid (PubChem CID 64696034) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
PubChem CID64696034
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
SMILESCCOC1CCCN(C(CN)C(=O)O)C1
InChIInChI=1S/C10H20N2O3/c1-2-15-8-4-3-5-12(7-8)9(6-11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14)
InChIKeyDONBPPYOORKIFA-UHFFFAOYSA-N
XLogP-0.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
CID 103224650
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
3-(3-ethoxypiperidin-1-yl)butanehydrazide
CID 63578982
2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501687
3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 64693345
3-amino-1-(3-ethoxypiperidin-1-yl)-2-methoxypropan-1-one
CID 106112639
5-[1-(3-ethoxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79090059
3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid (CID 64696034) is 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid is CCOC1CCCN(C(CN)C(=O)O)C1.
What is the InChIKey of 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid?
The InChIKey is DONBPPYOORKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-15-8-4-3-5-12(7-8)9(6-11)10(13)14/h8-9H,2-7,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid?
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 64696034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).