3-[(1-methylpiperidin-4-yl)amino]propanoic acid

C9H18N2O2 — CID 5126105

IUPAC3-[(1-methylpiperidin-4-yl)amino]propanoic acid
SMILESCN1CCC(NCCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-11-6-3-8(4-7-11)10-5-2-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyRTMGYBJQLQUCJF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.14
Rot. Bonds4

About 3-[(1-methylpiperidin-4-yl)amino]propanoic acid

3-[(1-methylpiperidin-4-yl)amino]propanoic acid (PubChem CID 5126105) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)amino]propanoic acid
PubChem CID5126105
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[(1-methylpiperidin-4-yl)amino]propanoic acid
SMILESCN1CCC(NCCC(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-11-6-3-8(4-7-11)10-5-2-9(12)13/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyRTMGYBJQLQUCJF-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)amino]propanoic acid (CID 5126105) is 3-[(1-methylpiperidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)amino]propanoic acid is CN1CCC(NCCC(=O)O)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)amino]propanoic acid?
The InChIKey is RTMGYBJQLQUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-11-6-3-8(4-7-11)10-5-2-9(12)13/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(1-methylpiperidin-4-yl)amino]propanoic acid?
3-[(1-methylpiperidin-4-yl)amino]propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 5126105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).