3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid

C14H25FN2O4 — CID 150077050

IUPAC3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCC(C)CCC(F)C(C)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C14H25FN2O4/c1-10(2)4-5-11(15)14(3,12(18)19)16-13(20)17-6-8-21-9-7-17/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDQMGCHFFTOOSLB-UHFFFAOYSA-N
MW304.36 g/mol
LogP1.65
Rot. Bonds6

About 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid

3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid (PubChem CID 150077050) has the molecular formula C14H25FN2O4 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid.

Molecular Properties

Compound Name3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid
PubChem CID150077050
Molecular FormulaC14H25FN2O4
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid
SMILESCC(C)CCC(F)C(C)(NC(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C14H25FN2O4/c1-10(2)4-5-11(15)14(3,12(18)19)16-13(20)17-6-8-21-9-7-17/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDQMGCHFFTOOSLB-UHFFFAOYSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2,6-dimethyl-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

(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
Methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113
4,4-Difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 68821126
4,4-Difluoro-2-(morpholine-4-carbonylamino)heptanoic acid
CID 68822399
3-Fluoro-2-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 150152848
2-Fluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoic acid
CID 151816747
2-Fluoro-2-(morpholine-4-carbonylamino)heptanoic acid
CID 152251990
Fluoro 2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoate
CID 174517392
Fluoro 2-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 174517407
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61492705

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The IUPAC name of 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid (CID 150077050) is 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid.
What is the SMILES notation for 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The canonical SMILES for 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid is CC(C)CCC(F)C(C)(NC(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid?
The InChIKey is DQMGCHFFTOOSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O4/c1-10(2)4-5-11(15)14(3,12(18)19)16-13(20)17-6-8-21-9-7-17/h10-11H,4-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid?
3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid has a molecular weight of 304.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dimethyl-2-(morpholine-4-carbonylamino)heptanoic acid is sourced from PubChem (CID 150077050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).