2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid

C11H20N2O5 — CID 81204121

IUPAC2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)N1CCOC(CO)C1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,9(15)16)12(3)10(17)13-4-5-18-8(6-13)7-14/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyMFSKWSDSICQCPW-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.41
Rot. Bonds3

About 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 81204121) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID81204121
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)N1CCOC(CO)C1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,9(15)16)12(3)10(17)13-4-5-18-8(6-13)7-14/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyMFSKWSDSICQCPW-UHFFFAOYSA-N
XLogP-0.41
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-methyl-2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 62820953
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81204721
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 81204434
2-ethylmorpholine-4-carboxylic acid
CID 121455686
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid (CID 81204121) is 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)N1CCOC(CO)C1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is MFSKWSDSICQCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,9(15)16)12(3)10(17)13-4-5-18-8(6-13)7-14/h8,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 81204121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).