2-(3-piperidin-1-ylpropylamino)propanoic acid

C11H22N2O2 — CID 66172280

IUPAC2-(3-piperidin-1-ylpropylamino)propanoic acid
SMILESCC(NCCCN1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-10(11(14)15)12-6-5-9-13-7-3-2-4-8-13/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyBCSVSXJSRDXJOW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds6

About 2-(3-piperidin-1-ylpropylamino)propanoic acid

2-(3-piperidin-1-ylpropylamino)propanoic acid (PubChem CID 66172280) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropylamino)propanoic acid
PubChem CID66172280
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(3-piperidin-1-ylpropylamino)propanoic acid
SMILESCC(NCCCN1CCCCC1)C(=O)O
InChIInChI=1S/C11H22N2O2/c1-10(11(14)15)12-6-5-9-13-7-3-2-4-8-13/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyBCSVSXJSRDXJOW-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-piperidin-1-ylethylamino)propanoic acid
CID 43467348
2-[3-(4-methylpiperazin-1-yl)propylamino]propanoic acid
CID 66172084
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 94827893
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
CID 65289087
N-[3-(azepan-1-yl)propyl]butan-2-amine
CID 115707284
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
2-(butan-2-ylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 60852471

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropylamino)propanoic acid?
The IUPAC name of 2-(3-piperidin-1-ylpropylamino)propanoic acid (CID 66172280) is 2-(3-piperidin-1-ylpropylamino)propanoic acid.
What is the SMILES notation for 2-(3-piperidin-1-ylpropylamino)propanoic acid?
The canonical SMILES for 2-(3-piperidin-1-ylpropylamino)propanoic acid is CC(NCCCN1CCCCC1)C(=O)O.
What is the InChIKey of 2-(3-piperidin-1-ylpropylamino)propanoic acid?
The InChIKey is BCSVSXJSRDXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(11(14)15)12-6-5-9-13-7-3-2-4-8-13/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-(3-piperidin-1-ylpropylamino)propanoic acid?
2-(3-piperidin-1-ylpropylamino)propanoic acid has a molecular weight of 214.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropylamino)propanoic acid is sourced from PubChem (CID 66172280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).