2-hydroxy-2-piperidin-4-ylacetic acid

C7H13NO3 — CID 50990582

IUPAC2-hydroxy-2-piperidin-4-ylacetic acid
SMILESO=C(O)C(O)C1CCNCC1
InChIInChI=1S/C7H13NO3/c9-6(7(10)11)5-1-3-8-4-2-5/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyKDBOBQCTMQRDBV-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.57
Rot. Bonds2

About 2-hydroxy-2-piperidin-4-ylacetic acid

2-hydroxy-2-piperidin-4-ylacetic acid (PubChem CID 50990582) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-hydroxy-2-piperidin-4-ylacetic acid.

Molecular Properties

Compound Name2-hydroxy-2-piperidin-4-ylacetic acid
PubChem CID50990582
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-hydroxy-2-piperidin-4-ylacetic acid
SMILESO=C(O)C(O)C1CCNCC1
InChIInChI=1S/C7H13NO3/c9-6(7(10)11)5-1-3-8-4-2-5/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeyKDBOBQCTMQRDBV-UHFFFAOYSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclobutyl-2-hydroxyacetic acid
CID 118175739
(2R)-2-cycloheptyl-2-hydroxyacetic acid
CID 158640375
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151
3-amino-3-hydrazinylidene-2-piperidin-4-ylpropanoic acid
CID 68941962
2-(4,4-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 66287773
2-cyclohexyl-2-hydroxy-N-piperidin-4-ylacetamide
CID 59781162
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
2-hydroxy-2-(4-methylcycloheptyl)acetic acid
CID 66289030
(2R,3R)-2,3-dihydroxybutanedioic acid;piperazine
CID 76972105
1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol
CID 130564639
cyclopentyl(piperidin-4-yl)methanol
CID 54333800
3,3-dimethyl-2-piperidin-4-ylpentanoic acid
CID 123184489

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-piperidin-4-ylacetic acid?
The IUPAC name of 2-hydroxy-2-piperidin-4-ylacetic acid (CID 50990582) is 2-hydroxy-2-piperidin-4-ylacetic acid.
What is the SMILES notation for 2-hydroxy-2-piperidin-4-ylacetic acid?
The canonical SMILES for 2-hydroxy-2-piperidin-4-ylacetic acid is O=C(O)C(O)C1CCNCC1.
What is the InChIKey of 2-hydroxy-2-piperidin-4-ylacetic acid?
The InChIKey is KDBOBQCTMQRDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-6(7(10)11)5-1-3-8-4-2-5/h5-6,8-9H,1-4H2,(H,10,11).
What are the key properties of 2-hydroxy-2-piperidin-4-ylacetic acid?
2-hydroxy-2-piperidin-4-ylacetic acid has a molecular weight of 159.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-piperidin-4-ylacetic acid is sourced from PubChem (CID 50990582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).