2-methyl-3-(piperidin-1-ylamino)propanoic acid

C9H18N2O2 — CID 83014488

IUPAC2-methyl-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(CNN1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-8(9(12)13)7-10-11-5-3-2-4-6-11/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyGPXAPEQEZVNVDL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.70
Rot. Bonds4

About 2-methyl-3-(piperidin-1-ylamino)propanoic acid

2-methyl-3-(piperidin-1-ylamino)propanoic acid (PubChem CID 83014488) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(piperidin-1-ylamino)propanoic acid
PubChem CID83014488
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-methyl-3-(piperidin-1-ylamino)propanoic acid
SMILESCC(CNN1CCCCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-8(9(12)13)7-10-11-5-3-2-4-6-11/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyGPXAPEQEZVNVDL-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of 2-methyl-3-(piperidin-1-ylamino)propanoic acid (CID 83014488) is 2-methyl-3-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-3-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-3-(piperidin-1-ylamino)propanoic acid is CC(CNN1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-(piperidin-1-ylamino)propanoic acid?
The InChIKey is GPXAPEQEZVNVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(9(12)13)7-10-11-5-3-2-4-6-11/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3-(piperidin-1-ylamino)propanoic acid?
2-methyl-3-(piperidin-1-ylamino)propanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 83014488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).