1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid

C12H19N3O6 — CID 107439443

IUPAC1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CC(=O)NCC2C(=O)O)CC(CO)O1
InChIInChI=1S/C12H19N3O6/c1-7-3-14(4-8(6-16)21-7)12(20)15-5-10(17)13-2-9(15)11(18)19/h7-9,16H,2-6H2,1H3,(H,13,17)(H,18,19)
InChIKeyOMKWTFHHCKAART-UHFFFAOYSA-N
MW301.30 g/mol
LogP-1.93
Rot. Bonds2

About 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid

1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 107439443) has the molecular formula C12H19N3O6 and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID107439443
Molecular FormulaC12H19N3O6
Molecular Weight301.30 g/mol
Exact Mass301.13
IUPAC Name1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid
SMILESCC1CN(C(=O)N2CC(=O)NCC2C(=O)O)CC(CO)O1
InChIInChI=1S/C12H19N3O6/c1-7-3-14(4-8(6-16)21-7)12(20)15-5-10(17)13-2-9(15)11(18)19/h7-9,16H,2-6H2,1H3,(H,13,17)(H,18,19)
InChIKeyOMKWTFHHCKAART-UHFFFAOYSA-N
XLogP-1.93
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-oxopiperazine-2-carboxylic acid
CID 107438597
1-(4-ethoxypiperidine-1-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438116
5-oxo-1-(5-oxo-1,4-diazepane-1-carbonyl)piperazine-2-carboxylic acid
CID 107438696
1-(cyclopropanecarbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432929
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 102932402
1-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107438360
5-oxo-1-(2-propan-2-ylsulfanylacetyl)piperazine-2-carboxylic acid
CID 107432944
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-octanoyl-5-oxopiperazine-2-carboxylic acid
CID 107432834

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid (CID 107439443) is 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid is CC1CN(C(=O)N2CC(=O)NCC2C(=O)O)CC(CO)O1.
What is the InChIKey of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is OMKWTFHHCKAART-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O6/c1-7-3-14(4-8(6-16)21-7)12(20)15-5-10(17)13-2-9(15)11(18)19/h7-9,16H,2-6H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid?
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of -1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107439443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).