(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid

C11H20N2O5 — CID 68684608

IUPAC(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NC[C@H]1CN(C(=O)O)CCO1
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-9(14)12-6-8-7-13(10(15)16)4-5-17-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyOSWZWUYZQLVAOM-QMMMGPOBSA-N
MW260.29 g/mol
LogP0.89
Rot. Bonds2

About (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid

(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid (PubChem CID 68684608) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
PubChem CID68684608
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)NC[C@H]1CN(C(=O)O)CCO1
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-9(14)12-6-8-7-13(10(15)16)4-5-17-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyOSWZWUYZQLVAOM-QMMMGPOBSA-N
XLogP0.89
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]carbamate
CID 163975726
2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid
CID 175467976
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
tert-butyl N-[[(2S)-4-[2-(3-acetylphenoxy)acetyl]morpholin-2-yl]methyl]carbamate
CID 98010789
2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid
CID 87400743
tert-butyl N-[[(2S)-4-[(3,4-dimethylphenyl)methyl]morpholin-2-yl]methyl]carbamate
CID 143491953
tert-butyl N-[2-[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884988
2-ethylmorpholine-4-carboxylic acid
CID 121455686
tert-butyl N-[[(2S)-morpholin-2-yl]methyl]carbamate
CID 42556133
tert-butyl N-[[(2S)-4-[(3-chloro-4-methylphenyl)methyl]morpholin-2-yl]methyl]carbamate;ethane
CID 143612680
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid (CID 68684608) is (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid is CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)O)CCO1.
What is the InChIKey of (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid?
The InChIKey is OSWZWUYZQLVAOM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-9(14)12-6-8-7-13(10(15)16)4-5-17-8/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid?
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 68684608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).