(2S)-2-(piperidin-1-ylamino)propanoic acid

C8H16N2O2 — CID 54482602

IUPAC(2S)-2-(piperidin-1-ylamino)propanoic acid
SMILESC[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-7(8(11)12)9-10-5-3-2-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyXQBUAEBDRUXSPI-ZETCQYMHSA-N
MW172.23 g/mol
LogP0.45
Rot. Bonds3

About (2S)-2-(piperidin-1-ylamino)propanoic acid

(2S)-2-(piperidin-1-ylamino)propanoic acid (PubChem CID 54482602) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-(piperidin-1-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(piperidin-1-ylamino)propanoic acid
PubChem CID54482602
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-(piperidin-1-ylamino)propanoic acid
SMILESC[C@H](NN1CCCCC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-7(8(11)12)9-10-5-3-2-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyXQBUAEBDRUXSPI-ZETCQYMHSA-N
XLogP0.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(piperidin-1-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(piperidin-1-ylamino)propanoic acid (CID 54482602) is (2S)-2-(piperidin-1-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(piperidin-1-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(piperidin-1-ylamino)propanoic acid is C[C@H](NN1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(piperidin-1-ylamino)propanoic acid?
The InChIKey is XQBUAEBDRUXSPI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(8(11)12)9-10-5-3-2-4-6-10/h7,9H,2-6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(piperidin-1-ylamino)propanoic acid?
(2S)-2-(piperidin-1-ylamino)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(piperidin-1-ylamino)propanoic acid is sourced from PubChem (CID 54482602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).