4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid

C13H22F2N2O4 — CID 68821126

IUPAC4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCC(C)CC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H22F2N2O4/c1-9(2)7-13(14,15)8-10(11(18)19)16-12(20)17-3-5-21-6-4-17/h9-10H,3-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGTMFIFKEYXGAMT-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.55
Rot. Bonds6

About 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid

4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid (PubChem CID 68821126) has the molecular formula C13H22F2N2O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
PubChem CID68821126
Molecular FormulaC13H22F2N2O4
Molecular Weight308.33 g/mol
Exact Mass308.15
IUPAC Name4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCC(C)CC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C13H22F2N2O4/c1-9(2)7-13(14,15)8-10(11(18)19)16-12(20)17-3-5-21-6-4-17/h9-10H,3-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyGTMFIFKEYXGAMT-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-5,5-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 24955383
(s)-4,4-Difluoro-6-methyl-2-[(morpholine-4-carbonyl)-amino]-heptanoic acid methyl ester
CID 57535352
(2S)-4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 57535356
(S)-4,4-difluoro-2-[(morpholine-4-carbonyl)-amino]-heptanoic acid
CID 57535361
(s)-4,4-Difluoro-2-[(perhydro-1,4-oxazepine-4-carbonyl)-amino]-heptanoic acid
CID 57535363
(S)-4,4-Difluoro-2-[(morpholine-4-carbonyl)-amino]-pentanoic acid
CID 57535378
methyl (2S)-4,4-difluoro-2-(morpholine-4-carbonylamino)heptanoate
CID 57535382
Methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113
4,4-Difluoro-2-[([1,4]oxazepane-4-carbonyl)-amino)-heptanoic acid
CID 68821240
Methyl 4,4-difluoro-2-(morpholine-4-carbonylamino)heptanoate
CID 68821336
4,4-Difluoro-2-(morpholine-4-carbonylamino)pentanoic acid
CID 68821926
4,4-Difluoro-2-(morpholine-4-carbonylamino)heptanoic acid
CID 68822399

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The IUPAC name of 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid (CID 68821126) is 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid.
What is the SMILES notation for 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The canonical SMILES for 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid is CC(C)CC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The InChIKey is GTMFIFKEYXGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O4/c1-9(2)7-13(14,15)8-10(11(18)19)16-12(20)17-3-5-21-6-4-17/h9-10H,3-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid?
4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid has a molecular weight of 308.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid is sourced from PubChem (CID 68821126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).