2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid

C11H20N2O5 — CID 54557763

IUPAC2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid
SMILESCC(=O)OC(NC(C)C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C11H20N2O5/c1-8(2)12-11(10(15)16,18-9(3)14)13-4-6-17-7-5-13/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyLBLJLVBWNUTQHW-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.38
Rot. Bonds5

About 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid

2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid (PubChem CID 54557763) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid
PubChem CID54557763
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid
SMILESCC(=O)OC(NC(C)C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C11H20N2O5/c1-8(2)12-11(10(15)16,18-9(3)14)13-4-6-17-7-5-13/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyLBLJLVBWNUTQHW-UHFFFAOYSA-N
XLogP-0.38
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethyl-4-morpholin-4-ylpentan-2-yl) acetate
CID 143503686
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
methyl 2,2-dimorpholin-4-yl-3-oxobutanoate
CID 674156
3,3,3-trifluoro-2-methyl-2-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]propanoic acid
CID 79789681
tert-butyl acetate;oxolane
CID 174954006
2,2,3-trimethyl-1-morpholin-4-ylbutan-1-one
CID 23551857
(2-methyl-6-morpholin-4-yl-3-propan-2-ylhex-4-yn-3-yl) acetate
CID 685846
3-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
CID 62534902
(E)-2-methyl-3-morpholin-4-ylbut-2-enoic acid
CID 66776820
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
CID 66704647

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid?
The IUPAC name of 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid (CID 54557763) is 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid.
What is the SMILES notation for 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid?
The canonical SMILES for 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid is CC(=O)OC(NC(C)C)(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid?
The InChIKey is LBLJLVBWNUTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-8(2)12-11(10(15)16,18-9(3)14)13-4-6-17-7-5-13/h8,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid?
2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid has a molecular weight of 260.29 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-morpholin-4-yl-2-(propan-2-ylamino)acetic acid is sourced from PubChem (CID 54557763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).