(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid

C10H19NO4 — CID 130362180

IUPAC(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid
SMILESCC(C)(C)[C@@]1(CO)CN(C(=O)O)CCO1
InChIInChI=1S/C10H19NO4/c1-9(2,3)10(7-12)6-11(8(13)14)4-5-15-10/h12H,4-7H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyFMOMHVFXCQSOAN-JTQLQIEISA-N
MW217.26 g/mol
LogP0.77
Rot. Bonds1

About (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid

(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid (PubChem CID 130362180) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid
PubChem CID130362180
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid
SMILESCC(C)(C)[C@@]1(CO)CN(C(=O)O)CCO1
InChIInChI=1S/C10H19NO4/c1-9(2,3)10(7-12)6-11(8(13)14)4-5-15-10/h12H,4-7H2,1-3H3,(H,13,14)/t10-/m0/s1
InChIKeyFMOMHVFXCQSOAN-JTQLQIEISA-N
XLogP0.77
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid (CID 130362180) is (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid is CC(C)(C)[C@@]1(CO)CN(C(=O)O)CCO1.
What is the InChIKey of (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid?
The InChIKey is FMOMHVFXCQSOAN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)10(7-12)6-11(8(13)14)4-5-15-10/h12H,4-7H2,1-3H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid?
(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid has a molecular weight of 217.26 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 130362180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).