(2S)-2-(piperidin-4-ylamino)propanoic acid

C8H16N2O2 — CID 54248522

IUPAC(2S)-2-(piperidin-4-ylamino)propanoic acid
SMILESC[C@H](NC1CCNCC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-6(8(11)12)10-7-2-4-9-5-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyQVAZQYUQYQZVJV-LURJTMIESA-N
MW172.23 g/mol
LogP-0.20
Rot. Bonds3

About (2S)-2-(piperidin-4-ylamino)propanoic acid

(2S)-2-(piperidin-4-ylamino)propanoic acid (PubChem CID 54248522) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-(piperidin-4-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(piperidin-4-ylamino)propanoic acid
PubChem CID54248522
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-(piperidin-4-ylamino)propanoic acid
SMILESC[C@H](NC1CCNCC1)C(=O)O
InChIInChI=1S/C8H16N2O2/c1-6(8(11)12)10-7-2-4-9-5-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyQVAZQYUQYQZVJV-LURJTMIESA-N
XLogP-0.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(piperidin-4-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(piperidin-4-ylamino)propanoic acid (CID 54248522) is (2S)-2-(piperidin-4-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(piperidin-4-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(piperidin-4-ylamino)propanoic acid is C[C@H](NC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-2-(piperidin-4-ylamino)propanoic acid?
The InChIKey is QVAZQYUQYQZVJV-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(8(11)12)10-7-2-4-9-5-3-7/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-(piperidin-4-ylamino)propanoic acid?
(2S)-2-(piperidin-4-ylamino)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(piperidin-4-ylamino)propanoic acid is sourced from PubChem (CID 54248522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).