2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine

C11H23N3O3 — CID 157314191

IUPAC2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine
SMILESCN1CCOCC1.NCC1CCCN1C(=O)O
InChIInChI=1S/C6H12N2O2.C5H11NO/c7-4-5-2-1-3-8(5)6(9)10;1-6-2-4-7-5-3-6/h5H,1-4,7H2,(H,9,10);2-5H2,1H3
InChIKeyBDJXGNAJRXFOKF-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.04
Rot. Bonds1

About 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine

2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine (PubChem CID 157314191) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine.

Molecular Properties

Compound Name2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine
PubChem CID157314191
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine
SMILESCN1CCOCC1.NCC1CCCN1C(=O)O
InChIInChI=1S/C6H12N2O2.C5H11NO/c7-4-5-2-1-3-8(5)6(9)10;1-6-2-4-7-5-3-6/h5H,1-4,7H2,(H,9,10);2-5H2,1H3
InChIKeyBDJXGNAJRXFOKF-UHFFFAOYSA-N
XLogP0.04
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazin-2-ylmethyl pyrrolidine-1-carboxylate
CID 10850748
(2S)-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
CID 11345020
(2S,5S)-Methyl 2-(Hydroxymethyl)-5-[(1-pyrrolidinyl)methyl]-1-piperazine carboxylate
CID 15480952
2-(Morpholin-4-ylmethyl)pyrrolidine-1-carboxylic acid
CID 18542461
Methyl 2-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 22707209
N-[(1-methylpyrrolidin-2-yl)methyl]morpholine-4-carboxamide
CID 48114562
2-Methoxyethyl(piperidin-4-yl)carbamic acid
CID 53815385
2-Morpholin-4-ylpropylcarbamic acid
CID 54151569
methyl (2S,5R)-2-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 54340266
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide
CID 59475892
4-Methyl-3-piperidin-4-yl-1,3-oxazolidin-2-one
CID 60016606
3-(Piperidin-3-yl)-1,3-oxazolidin-2-one
CID 61649503

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine?
The IUPAC name of 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine (CID 157314191) is 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine.
What is the SMILES notation for 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine?
The canonical SMILES for 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine is CN1CCOCC1.NCC1CCCN1C(=O)O.
What is the InChIKey of 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine?
The InChIKey is BDJXGNAJRXFOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C5H11NO/c7-4-5-2-1-3-8(5)6(9)10;1-6-2-4-7-5-3-6/h5H,1-4,7H2,(H,9,10);2-5H2,1H3.
What are the key properties of 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine?
2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine has a molecular weight of 245.32 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)pyrrolidine-1-carboxylic acid;4-methylmorpholine is sourced from PubChem (CID 157314191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).