tert-butyl 2-amino-5-fluoropentanoate

C9H18FNO2 — CID 5323645

IUPACtert-butyl 2-amino-5-fluoropentanoate
SMILESCC(C)(C)OC(=O)C(N)CCCF
InChIInChI=1S/C9H18FNO2/c1-9(2,3)13-8(12)7(11)5-4-6-10/h7H,4-6,11H2,1-3H3
InChIKeyCSICLSJWVVFDOW-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.41
Rot. Bonds4

About tert-butyl 2-amino-5-fluoropentanoate

tert-butyl 2-amino-5-fluoropentanoate (PubChem CID 5323645) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is tert-butyl 2-amino-5-fluoropentanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-5-fluoropentanoate
PubChem CID5323645
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Nametert-butyl 2-amino-5-fluoropentanoate
SMILESCC(C)(C)OC(=O)C(N)CCCF
InChIInChI=1S/C9H18FNO2/c1-9(2,3)13-8(12)7(11)5-4-6-10/h7H,4-6,11H2,1-3H3
InChIKeyCSICLSJWVVFDOW-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
tert-butyl 2-aminooctadecanoate
CID 85318598
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
methyl 2-amino-5-fluoropentanoate
CID 81106108
acetic acid;7-O-tert-butyl 1-O-methyl (2S)-2,6-diaminoheptanedioate
CID 88744154
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-fluoropentanoate?
The IUPAC name of tert-butyl 2-amino-5-fluoropentanoate (CID 5323645) is tert-butyl 2-amino-5-fluoropentanoate.
What is the SMILES notation for tert-butyl 2-amino-5-fluoropentanoate?
The canonical SMILES for tert-butyl 2-amino-5-fluoropentanoate is CC(C)(C)OC(=O)C(N)CCCF.
What is the InChIKey of tert-butyl 2-amino-5-fluoropentanoate?
The InChIKey is CSICLSJWVVFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-9(2,3)13-8(12)7(11)5-4-6-10/h7H,4-6,11H2,1-3H3.
What are the key properties of tert-butyl 2-amino-5-fluoropentanoate?
tert-butyl 2-amino-5-fluoropentanoate has a molecular weight of 191.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-fluoropentanoate is sourced from PubChem (CID 5323645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).