2-(aminomethyl)morpholine-4-carboxylic acid

C6H12N2O3 — CID 18550924

IUPAC2-(aminomethyl)morpholine-4-carboxylic acid
SMILESNCC1CN(C(=O)O)CCO1
InChIInChI=1S/C6H12N2O3/c7-3-5-4-8(6(9)10)1-2-11-5/h5H,1-4,7H2,(H,9,10)
InChIKeyIGPZTDFMRFYKGY-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.68
Rot. Bonds1

About 2-(aminomethyl)morpholine-4-carboxylic acid

2-(aminomethyl)morpholine-4-carboxylic acid (PubChem CID 18550924) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(aminomethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)morpholine-4-carboxylic acid
PubChem CID18550924
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(aminomethyl)morpholine-4-carboxylic acid
SMILESNCC1CN(C(=O)O)CCO1
InChIInChI=1S/C6H12N2O3/c7-3-5-4-8(6(9)10)1-2-11-5/h5H,1-4,7H2,(H,9,10)
InChIKeyIGPZTDFMRFYKGY-UHFFFAOYSA-N
XLogP-0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(Aminomethyl)morpholino)ethanone
CID 10607034
tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
2-(Aminomethyl)morpholine-4-carboxamide
CID 61336621
4-Morpholinecarboxylic acid, 6-(aminomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-
CID 71742818
Tert-butyl 6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742819
tert-butyl (6R)-6-(aminomethyl)-2,2-dimethylmorpholine-4-carboxylate
CID 71742820
Tert-butyl 2-(aminomethyl)-6-methylmorpholine-4-carboxylate
CID 102938378
Morpholin-2-ylmethylcarbamic acid
CID 21962886
tert-Butyl (6R)-2-(aminomethyl)-6-methylmorpholine-4-carboxylate
CID 134222242
(R)-2-Aminomethyl-4-Boc-morpholine
CID 1515269
Propan-2-yl hydrogen [3-(morpholin-4-yl)propyl]carbonimidate
CID 220488
2-Aminomethyl-4-carboxymethylmorpholine
CID 112703856

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)morpholine-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)morpholine-4-carboxylic acid (CID 18550924) is 2-(aminomethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)morpholine-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)morpholine-4-carboxylic acid is NCC1CN(C(=O)O)CCO1.
What is the InChIKey of 2-(aminomethyl)morpholine-4-carboxylic acid?
The InChIKey is IGPZTDFMRFYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-3-5-4-8(6(9)10)1-2-11-5/h5H,1-4,7H2,(H,9,10).
What are the key properties of 2-(aminomethyl)morpholine-4-carboxylic acid?
2-(aminomethyl)morpholine-4-carboxylic acid has a molecular weight of 160.17 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 18550924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).