3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid

C11H22N2O3 — CID 79737054

IUPAC3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
SMILESNCCCOC1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O3/c12-5-1-9-16-10-2-6-13(7-3-10)8-4-11(14)15/h10H,1-9,12H2,(H,14,15)
InChIKeyZCVVOIOWLQNXIW-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.29
Rot. Bonds7

About 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid

3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid (PubChem CID 79737054) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
PubChem CID79737054
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
SMILESNCCCOC1CCN(CCC(=O)O)CC1
InChIInChI=1S/C11H22N2O3/c12-5-1-9-16-10-2-6-13(7-3-10)8-4-11(14)15/h10H,1-9,12H2,(H,14,15)
InChIKeyZCVVOIOWLQNXIW-UHFFFAOYSA-N
XLogP0.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.29
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

5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide
CID 79736085
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxypropan-1-amine
CID 113326655
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]oxyacetic acid
CID 63904708
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79737370
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid (CID 79737054) is 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid is NCCCOC1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid?
The InChIKey is ZCVVOIOWLQNXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c12-5-1-9-16-10-2-6-13(7-3-10)8-4-11(14)15/h10H,1-9,12H2,(H,14,15).
What are the key properties of 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid?
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 79737054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).