3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid

C11H21N3O3 — CID 175915905

IUPAC3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid
SMILESC[C@@H]1CN(CC2CN(C(=O)O)CCN2)CCO1
InChIInChI=1S/C11H21N3O3/c1-9-6-13(4-5-17-9)7-10-8-14(11(15)16)3-2-12-10/h9-10,12H,2-8H2,1H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyDYJMMTVJNYQWLU-YHMJZVADSA-N
MW243.31 g/mol
LogP-0.34
Rot. Bonds2

About 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid

3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid (PubChem CID 175915905) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid
PubChem CID175915905
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid
SMILESC[C@@H]1CN(CC2CN(C(=O)O)CCN2)CCO1
InChIInChI=1S/C11H21N3O3/c1-9-6-13(4-5-17-9)7-10-8-14(11(15)16)3-2-12-10/h9-10,12H,2-8H2,1H3,(H,15,16)/t9-,10?/m1/s1
InChIKeyDYJMMTVJNYQWLU-YHMJZVADSA-N
XLogP-0.34
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(pyrrolidin-2-ylmethyl)morpholine
CID 43199476
benzene;chloromethane;(3S)-3-(hydroxymethyl)piperazine-1-carboxylic acid
CID 174567901
1-[(3S)-3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperazin-1-yl]ethanone
CID 70162239
(2S)-4-(cyclopropylmethyl)-2-methylmorpholine
CID 126997492
2-hydroxy-3-(2-methylmorpholin-4-yl)propanoic acid
CID 130593590
1-(2-methylmorpholin-4-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119698735
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
methyl 2-[(2S)-2-methylmorpholin-4-yl]acetate
CID 28880549
3-(2-methyl-1,4-oxazepan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 55153707
2,2,2-trifluoro-1-[(3R)-3-(pyrrolidin-1-ylmethyl)piperazin-1-yl]ethanone
CID 21336766
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
CID 62272293
4-methyl-2-[(2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 62613668

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid?
The IUPAC name of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid (CID 175915905) is 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid?
The canonical SMILES for 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid is C[C@@H]1CN(CC2CN(C(=O)O)CCN2)CCO1.
What is the InChIKey of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid?
The InChIKey is DYJMMTVJNYQWLU-YHMJZVADSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9-6-13(4-5-17-9)7-10-8-14(11(15)16)3-2-12-10/h9-10,12H,2-8H2,1H3,(H,15,16)/t9-,10?/m1/s1.
What are the key properties of 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid?
3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-methylmorpholin-4-yl]methyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175915905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).