(2S)-2-(morpholine-4-carbonylamino)hexanoic acid

C11H20N2O4 — CID 104934728

IUPAC(2S)-2-(morpholine-4-carbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-4-9(10(14)15)12-11(16)13-5-7-17-8-6-13/h9H,2-8H2,1H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyFPRVAOUZFLVBAO-VIFPVBQESA-N
MW244.29 g/mol
LogP0.67
Rot. Bonds5

About (2S)-2-(morpholine-4-carbonylamino)hexanoic acid

(2S)-2-(morpholine-4-carbonylamino)hexanoic acid (PubChem CID 104934728) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-(morpholine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(morpholine-4-carbonylamino)hexanoic acid
PubChem CID104934728
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-(morpholine-4-carbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-3-4-9(10(14)15)12-11(16)13-5-7-17-8-6-13/h9H,2-8H2,1H3,(H,12,16)(H,14,15)/t9-/m0/s1
InChIKeyFPRVAOUZFLVBAO-VIFPVBQESA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(morpholine-4-carbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-(morpholine-4-carbonylamino)hexanoic acid (CID 104934728) is (2S)-2-(morpholine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(morpholine-4-carbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(morpholine-4-carbonylamino)hexanoic acid is CCCC[C@H](NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-(morpholine-4-carbonylamino)hexanoic acid?
The InChIKey is FPRVAOUZFLVBAO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-3-4-9(10(14)15)12-11(16)13-5-7-17-8-6-13/h9H,2-8H2,1H3,(H,12,16)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(morpholine-4-carbonylamino)hexanoic acid?
(2S)-2-(morpholine-4-carbonylamino)hexanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(morpholine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 104934728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).