fluoromethyl (2S)-2,5-diaminopentanoate

C6H13FN2O2 — CID 22811750

IUPACfluoromethyl (2S)-2,5-diaminopentanoate
SMILESNCCC[C@H](N)C(=O)OCF
InChIInChI=1S/C6H13FN2O2/c7-4-11-6(10)5(9)2-1-3-8/h5H,1-4,8-9H2/t5-/m0/s1
InChIKeyCQTQXQLIIWMQCR-YFKPBYRVSA-N
MW164.18 g/mol
LogP-0.48
Rot. Bonds5

About fluoromethyl (2S)-2,5-diaminopentanoate

fluoromethyl (2S)-2,5-diaminopentanoate (PubChem CID 22811750) has the molecular formula C6H13FN2O2 and a molecular weight of 164.18 g/mol. Its IUPAC name is fluoromethyl (2S)-2,5-diaminopentanoate.

Molecular Properties

Compound Namefluoromethyl (2S)-2,5-diaminopentanoate
PubChem CID22811750
Molecular FormulaC6H13FN2O2
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Namefluoromethyl (2S)-2,5-diaminopentanoate
SMILESNCCC[C@H](N)C(=O)OCF
InChIInChI=1S/C6H13FN2O2/c7-4-11-6(10)5(9)2-1-3-8/h5H,1-4,8-9H2/t5-/m0/s1
InChIKeyCQTQXQLIIWMQCR-YFKPBYRVSA-N
XLogP-0.48
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze fluoromethyl (2S)-2,5-diaminopentanoate 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

ethane;methyl 2,5-diaminopentanoate
CID 142442335
bromomethyl (2S)-2,6-diaminohexanoate
CID 174174403
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
ethyl (2R)-2,6-diaminohexanoate
CID 7018921
12-aminododecyl (2S)-2,6-diaminohexanoate
CID 175019301
amino (2S)-2,6-diaminohexanoate
CID 18651785
4-aminobutanoyl (2R)-2,5-diaminopentanoate
CID 174727380
disodium;[(2S)-2,6-diaminohexanoyl]oxycarbonyl (2S)-2,6-diaminohexanoate;hydride
CID 174505551
zinc 2,5-diaminopentanoic acid
CID 56838280
bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694

Frequently Asked Questions

What is the IUPAC name of fluoromethyl (2S)-2,5-diaminopentanoate?
The IUPAC name of fluoromethyl (2S)-2,5-diaminopentanoate (CID 22811750) is fluoromethyl (2S)-2,5-diaminopentanoate.
What is the SMILES notation for fluoromethyl (2S)-2,5-diaminopentanoate?
The canonical SMILES for fluoromethyl (2S)-2,5-diaminopentanoate is NCCC[C@H](N)C(=O)OCF.
What is the InChIKey of fluoromethyl (2S)-2,5-diaminopentanoate?
The InChIKey is CQTQXQLIIWMQCR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13FN2O2/c7-4-11-6(10)5(9)2-1-3-8/h5H,1-4,8-9H2/t5-/m0/s1.
What are the key properties of fluoromethyl (2S)-2,5-diaminopentanoate?
fluoromethyl (2S)-2,5-diaminopentanoate has a molecular weight of 164.18 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl (2S)-2,5-diaminopentanoate is sourced from PubChem (CID 22811750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).