(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid

C13H24N2O4 — CID 169080271

IUPAC(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid
SMILESCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)5-4-10(11(16)17)14-12(18)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyAGBYNYFTXRUSDZ-JTQLQIEISA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds4

About (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid

(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid (PubChem CID 169080271) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid
PubChem CID169080271
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid
SMILESCC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-13(2,3)5-4-10(11(16)17)14-12(18)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1
InChIKeyAGBYNYFTXRUSDZ-JTQLQIEISA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Morpholinocarbonyl)leucine methyl ester
CID 749333
methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 24955383
methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hept-6-enoate
CID 59194131
(2S)-4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 57535356
4,4-Difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 68821126
3-Fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 150152848
2-Fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 151816747
Methyl 4-methyl-2-(morpholin-4-ylcarbonylamino)pentanoate
CID 4318319
US20250161321, Example 5
CID 169080270
4-Methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 3719244
(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 134943303
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 63833001

Frequently Asked Questions

What is the IUPAC name of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid?
The IUPAC name of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid (CID 169080271) is (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid?
The canonical SMILES for (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid is CC(C)(C)CC[C@H](NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid?
The InChIKey is AGBYNYFTXRUSDZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)5-4-10(11(16)17)14-12(18)15-6-8-19-9-7-15/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid?
(2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)hexanoic acid is sourced from PubChem (CID 169080271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).