3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid

C10H19NO3 — CID 43538757

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(13)14)6-11-4-2-9(7-12)3-5-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyASIDQWHICPIDMG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.41
Rot. Bonds4

About 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid

3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid (PubChem CID 43538757) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
PubChem CID43538757
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(13)14)6-11-4-2-9(7-12)3-5-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyASIDQWHICPIDMG-UHFFFAOYSA-N
XLogP0.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanehydrazide
CID 63570764
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
CID 114798284
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 102736543
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
benzyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106484236
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid (CID 43538757) is 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid is CC(CN1CCC(CO)CC1)C(=O)O.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid?
The InChIKey is ASIDQWHICPIDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(10(13)14)6-11-4-2-9(7-12)3-5-11/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid?
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 43538757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).