fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate

C11H19FN2O4 — CID 174503211

IUPACfluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate
SMILESCCCC(CNC(=O)N1CCOCC1)C(=O)OF
InChIInChI=1S/C11H19FN2O4/c1-2-3-9(10(15)18-12)8-13-11(16)14-4-6-17-7-5-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyMZUZINUGLSQXDK-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.87
Rot. Bonds5

About fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate

fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate (PubChem CID 174503211) has the molecular formula C11H19FN2O4 and a molecular weight of 262.28 g/mol. Its IUPAC name is fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate.

Molecular Properties

Compound Namefluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate
PubChem CID174503211
Molecular FormulaC11H19FN2O4
Molecular Weight262.28 g/mol
Exact Mass262.13
IUPAC Namefluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate
SMILESCCCC(CNC(=O)N1CCOCC1)C(=O)OF
InChIInChI=1S/C11H19FN2O4/c1-2-3-9(10(15)18-12)8-13-11(16)14-4-6-17-7-5-14/h9H,2-8H2,1H3,(H,13,16)
InChIKeyMZUZINUGLSQXDK-UHFFFAOYSA-N
XLogP0.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-methyl 4-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 944347
(2S)-methyl 4-methyl-2-(2-methylpiperidine-1-carboxamido)pentanoate
CID 16682389
(2S,3R)-methyl 3-methyl-2-(3-(3-morpholinopropyl)ureido)pentanoate
CID 663402
(S)-methyl 4-methyl-2-(piperidine-1-carboxamido)pentanoate
CID 938928
N-(Morpholinocarbonyl)leucine methyl ester
CID 749333
Methyl 4-methyl-2-(morpholin-4-ylcarbonylamino)pentanoate
CID 4318319
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63832827
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63834067
2-[[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]methyl]pentanoic acid
CID 65226523
4-Methyl-2-[[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]methyl]pentanoic acid
CID 80118550
(3R)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81120149
(3S)-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125966

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate?
The IUPAC name of fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate (CID 174503211) is fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate.
What is the SMILES notation for fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate?
The canonical SMILES for fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate is CCCC(CNC(=O)N1CCOCC1)C(=O)OF.
What is the InChIKey of fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate?
The InChIKey is MZUZINUGLSQXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O4/c1-2-3-9(10(15)18-12)8-13-11(16)14-4-6-17-7-5-14/h9H,2-8H2,1H3,(H,13,16).
What are the key properties of fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate?
fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate has a molecular weight of 262.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[(morpholine-4-carbonylamino)methyl]pentanoate is sourced from PubChem (CID 174503211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).