3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid

C7H13NO4 — CID 22135643

IUPAC3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CO)C(O)C1
InChIInChI=1S/C7H13NO4/c9-4-5-1-2-8(7(11)12)3-6(5)10/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyNLYSRAIZVHNOBK-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.66
Rot. Bonds1

About 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid

3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid (PubChem CID 22135643) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid
PubChem CID22135643
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CO)C(O)C1
InChIInChI=1S/C7H13NO4/c9-4-5-1-2-8(7(11)12)3-6(5)10/h5-6,9-10H,1-4H2,(H,11,12)
InChIKeyNLYSRAIZVHNOBK-UHFFFAOYSA-N
XLogP-0.66
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 121378626
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CID 121378628
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CID 138609799
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CID 150061124
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CID 151597683

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid (CID 22135643) is 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(CO)C(O)C1.
What is the InChIKey of 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid?
The InChIKey is NLYSRAIZVHNOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-4-5-1-2-8(7(11)12)3-6(5)10/h5-6,9-10H,1-4H2,(H,11,12).
What are the key properties of 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid?
3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22135643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).