2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid

C12H22N2O5 — CID 175467976

IUPAC2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid
SMILESCN(CC1CN(C(=O)O)CCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(17)13(4)7-9-8-14(10(15)16)5-6-18-9/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyDYVBSSAHCACSFC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.23
Rot. Bonds2

About 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid

2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid (PubChem CID 175467976) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid
PubChem CID175467976
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid
SMILESCN(CC1CN(C(=O)O)CCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O5/c1-12(2,3)19-11(17)13(4)7-9-8-14(10(15)16)5-6-18-9/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyDYVBSSAHCACSFC-UHFFFAOYSA-N
XLogP1.23
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
2-ethylmorpholine-4-carboxylic acid
CID 121455686
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid
CID 87400743
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
tert-butyl N-methyl-N-[2-[methyl-[[(2R)-oxiran-2-yl]methyl]amino]ethyl]carbamate
CID 118190485
3-[(2-methylpropan-2-yl)oxycarbonyl-(oxan-2-ylmethyl)amino]oxyazetidine-1-carboxylic acid
CID 146314533
tert-butyl 2-[[cyclopropylmethyl(methyl)sulfamoyl]methyl]morpholine-4-carboxylate
CID 126823150
tert-butyl N-methyl-N-[[(2R)-4-[6-nitro-3-phenoxy-2-(trifluoromethyl)phenyl]morpholin-2-yl]methyl]carbamate
CID 167194383

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid (CID 175467976) is 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid is CN(CC1CN(C(=O)O)CCO1)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid?
The InChIKey is DYVBSSAHCACSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-12(2,3)19-11(17)13(4)7-9-8-14(10(15)16)5-6-18-9/h9H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid?
2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 175467976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).