methyl 2-amino-5-fluoropentanoate

C6H12FNO2 — CID 81106108

IUPACmethyl 2-amino-5-fluoropentanoate
SMILESCOC(=O)C(N)CCCF
InChIInChI=1S/C6H12FNO2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,8H2,1H3
InChIKeyPEJHQDQGWUBYFQ-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.24
Rot. Bonds4

About methyl 2-amino-5-fluoropentanoate

methyl 2-amino-5-fluoropentanoate (PubChem CID 81106108) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is methyl 2-amino-5-fluoropentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-fluoropentanoate
PubChem CID81106108
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Namemethyl 2-amino-5-fluoropentanoate
SMILESCOC(=O)C(N)CCCF
InChIInChI=1S/C6H12FNO2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,8H2,1H3
InChIKeyPEJHQDQGWUBYFQ-UHFFFAOYSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-amino-4-fluorobutanoate
CID 124512753
ethane;methyl 2,5-diaminopentanoate
CID 142442335
methyl (2S)-2-aminohexanoate
CID 7018840
methyl (2R)-2-amino-6,6,6-trifluorohexanoate
CID 122585346
methyl (2R)-2-amino-6-hydroxyhexanoate
CID 129365766
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
isocyanic acid;methyl (2S)-2,6-diaminohexanoate
CID 87836343
methyl 2,6-diaminohexanoate;prop-1-yne
CID 144623204

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-fluoropentanoate?
The IUPAC name of methyl 2-amino-5-fluoropentanoate (CID 81106108) is methyl 2-amino-5-fluoropentanoate.
What is the SMILES notation for methyl 2-amino-5-fluoropentanoate?
The canonical SMILES for methyl 2-amino-5-fluoropentanoate is COC(=O)C(N)CCCF.
What is the InChIKey of methyl 2-amino-5-fluoropentanoate?
The InChIKey is PEJHQDQGWUBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-10-6(9)5(8)3-2-4-7/h5H,2-4,8H2,1H3.
What are the key properties of methyl 2-amino-5-fluoropentanoate?
methyl 2-amino-5-fluoropentanoate has a molecular weight of 149.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-fluoropentanoate is sourced from PubChem (CID 81106108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).