tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate

C12H22N2O4 — CID 80979649

IUPACtert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-9(10(15)18-12(2,3)4)13-11(16)14-5-7-17-8-6-14/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKeyFJDREWYRNOKIPQ-SECBINFHSA-N
MW258.32 g/mol
LogP0.76
Rot. Bonds2

About tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate

tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate (PubChem CID 80979649) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
PubChem CID80979649
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
SMILESC[C@@H](NC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C12H22N2O4/c1-9(10(15)18-12(2,3)4)13-11(16)14-5-7-17-8-6-14/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m1/s1
InChIKeyFJDREWYRNOKIPQ-SECBINFHSA-N
XLogP0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 44549256
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-1-carboxamide
CID 116657750
methyl (2S)-3-methyl-2-(morpholine-4-carbonylamino)butanoate
CID 940643
tert-butyl (2R)-3-methyl-2-(pyrrolidine-1-carbonylamino)butanoate
CID 113322495
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
2-amino-2-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide;hydrochloride
CID 119308587
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
N-(4-amino-4-oxobutan-2-yl)morpholine-4-carboxamide
CID 115665185

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate?
The IUPAC name of tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate (CID 80979649) is tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate?
The canonical SMILES for tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate is C[C@@H](NC(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate?
The InChIKey is FJDREWYRNOKIPQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9(10(15)18-12(2,3)4)13-11(16)14-5-7-17-8-6-14/h9H,5-8H2,1-4H3,(H,13,16)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate?
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate has a molecular weight of 258.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate is sourced from PubChem (CID 80979649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).