1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid

C13H22N2O5 — CID 107071792

IUPAC1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCOC(CO)C2)C1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-9-3-2-4-15(11(9)12(17)18)13(19)14-5-6-20-10(7-14)8-16/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyVDCLLQVQNGHZNG-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.02
Rot. Bonds2

About 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid

1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107071792) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107071792
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N2CCOC(CO)C2)C1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-9-3-2-4-15(11(9)12(17)18)13(19)14-5-6-20-10(7-14)8-16/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyVDCLLQVQNGHZNG-UHFFFAOYSA-N
XLogP-0.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylmorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071345
1-(2-cyanomorpholine-4-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071765
2-[4-(2,3-dimethylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434882
1-(3-ethylpiperidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071356
1-[2-(hydroxymethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 81204434
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071729
3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
1-(3-methoxycarbonylpyrrolidine-1-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107071779
(2S)-1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 115535473
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 107069717
1-[2-[2-(hydroxymethyl)morpholine-4-carbonyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 81197204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid (CID 107071792) is 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)N2CCOC(CO)C2)C1C(=O)O.
What is the InChIKey of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is VDCLLQVQNGHZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9-3-2-4-15(11(9)12(17)18)13(19)14-5-6-20-10(7-14)8-16/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid?
1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)morpholine-4-carbonyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107071792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).