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

C9H16N2O5 — CID 81204430

IUPAC2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H16N2O5/c1-10(5-8(13)14)9(15)11-2-3-16-7(4-11)6-12/h7,12H,2-6H2,1H3,(H,13,14)
InChIKeyRJXRKDDTJAMEBR-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.18
Rot. Bonds3

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

2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid (PubChem CID 81204430) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
PubChem CID81204430
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H16N2O5/c1-10(5-8(13)14)9(15)11-2-3-16-7(4-11)6-12/h7,12H,2-6H2,1H3,(H,13,14)
InChIKeyRJXRKDDTJAMEBR-UHFFFAOYSA-N
XLogP-1.18
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81204721
2-[(2-methoxycarbonylmorpholine-4-carbonyl)-methylamino]acetic acid
CID 113330572
2-(hydroxymethyl)-N,N-diphenylmorpholine-4-carboxamide
CID 75476548
2-[(2-ethylmorpholine-4-carbonyl)-propylamino]acetic acid
CID 61203406
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[(2-ethylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283600
2-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid (CID 81204430) is 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N1CCOC(CO)C1.
What is the InChIKey of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid?
The InChIKey is RJXRKDDTJAMEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-10(5-8(13)14)9(15)11-2-3-16-7(4-11)6-12/h7,12H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid?
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid has a molecular weight of 232.24 g/mol, XLogP of -1.18, 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]acetic acid is sourced from PubChem (CID 81204430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).