(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid

C10H19NO3 — CID 129491011

IUPAC(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCC(C)(CO)CC1
InChIInChI=1S/C10H19NO3/c1-8(9(13)14)11-5-3-10(2,7-12)4-6-11/h8,12H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyBABPZNDGRUUMMU-MRVPVSSYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds3

About (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid

(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid (PubChem CID 129491011) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid
PubChem CID129491011
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCC(C)(CO)CC1
InChIInChI=1S/C10H19NO3/c1-8(9(13)14)11-5-3-10(2,7-12)4-6-11/h8,12H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyBABPZNDGRUUMMU-MRVPVSSYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid (CID 129491011) is (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCC(C)(CO)CC1.
What is the InChIKey of (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid?
The InChIKey is BABPZNDGRUUMMU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(9(13)14)11-5-3-10(2,7-12)4-6-11/h8,12H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid?
(2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 129491011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).