2-hydroxypropanoic acid;piperidine

C8H17NO3 — CID 70171801

IUPAC2-hydroxypropanoic acid;piperidine
SMILESC1CCNCC1.CC(O)C(=O)O
InChIInChI=1S/C5H11N.C3H6O3/c1-2-4-6-5-3-1;1-2(4)3(5)6/h6H,1-5H2;2,4H,1H3,(H,5,6)
InChIKeyAEEFFCVOBJCHAK-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.21
Rot. Bonds1

About 2-hydroxypropanoic acid;piperidine

2-hydroxypropanoic acid;piperidine (PubChem CID 70171801) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;piperidine.

Molecular Properties

Compound Name2-hydroxypropanoic acid;piperidine
PubChem CID70171801
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-hydroxypropanoic acid;piperidine
SMILESC1CCNCC1.CC(O)C(=O)O
InChIInChI=1S/C5H11N.C3H6O3/c1-2-4-6-5-3-1;1-2(4)3(5)6/h6H,1-5H2;2,4H,1H3,(H,5,6)
InChIKeyAEEFFCVOBJCHAK-UHFFFAOYSA-N
XLogP0.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;piperidine?
The IUPAC name of 2-hydroxypropanoic acid;piperidine (CID 70171801) is 2-hydroxypropanoic acid;piperidine.
What is the SMILES notation for 2-hydroxypropanoic acid;piperidine?
The canonical SMILES for 2-hydroxypropanoic acid;piperidine is C1CCNCC1.CC(O)C(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;piperidine?
The InChIKey is AEEFFCVOBJCHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O3/c1-2-4-6-5-3-1;1-2(4)3(5)6/h6H,1-5H2;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;piperidine?
2-hydroxypropanoic acid;piperidine has a molecular weight of 175.23 g/mol, XLogP of 0.21, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;piperidine is sourced from PubChem (CID 70171801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).