N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide

C11H21N3O2 — CID 59475892

IUPACN-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide
SMILESCN1CCC[C@H]1CNC(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-13-4-2-3-10(13)9-12-11(15)14-5-7-16-8-6-14/h10H,2-9H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyZXNROZZYPAKDTF-JTQLQIEISA-N
MW227.31 g/mol
LogP0.12
Rot. Bonds2

About N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide

N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide (PubChem CID 59475892) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide
PubChem CID59475892
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide
SMILESCN1CCC[C@H]1CNC(=O)N1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-13-4-2-3-10(13)9-12-11(15)14-5-7-16-8-6-14/h10H,2-9H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyZXNROZZYPAKDTF-JTQLQIEISA-N
XLogP0.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide (CID 59475892) is N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide is CN1CCC[C@H]1CNC(=O)N1CCOCC1.
What is the InChIKey of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide?
The InChIKey is ZXNROZZYPAKDTF-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-4-2-3-10(13)9-12-11(15)14-5-7-16-8-6-14/h10H,2-9H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide?
N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 59475892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).