2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid

C11H21NO3 — CID 83040756

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCC(CO)CC1
InChIInChI=1S/C11H21NO3/c1-2-3-10(11(14)15)12-6-4-9(8-13)5-7-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyVMXJHZCOUAQJOH-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid

2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid (PubChem CID 83040756) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
PubChem CID83040756
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCC(CO)CC1
InChIInChI=1S/C11H21NO3/c1-2-3-10(11(14)15)12-6-4-9(8-13)5-7-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyVMXJHZCOUAQJOH-UHFFFAOYSA-N
XLogP0.94
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-[4-(1-carboxybutyl)-7,10-bis(1-carboxylatobutyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 23528355
2-(3-propylazetidin-1-yl)pentanoic acid
CID 79695238
2-[3-(hydroxymethyl)pyrrolidin-1-yl]pentanehydrazide
CID 112629345
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]pentanoic acid
CID 163915951
2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 62310904
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
2-(3-tert-butylazetidin-1-yl)pentanoic acid
CID 79695452
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid (CID 83040756) is 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid is CCCC(C(=O)O)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid?
The InChIKey is VMXJHZCOUAQJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-10(11(14)15)12-6-4-9(8-13)5-7-12/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid?
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 83040756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).