tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate

C10H21FN2O2 — CID 90126597

IUPACtert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)F
InChIInChI=1S/C10H21FN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-8(11)12/h8H,4-7,12H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyNYYRMUFXVBWGRN-QMMMGPOBSA-N
MW220.29 g/mol
LogP1.94
Rot. Bonds5

About tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate

tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate (PubChem CID 90126597) has the molecular formula C10H21FN2O2 and a molecular weight of 220.29 g/mol. Its IUPAC name is tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
PubChem CID90126597
Molecular FormulaC10H21FN2O2
Molecular Weight220.29 g/mol
Exact Mass220.16
IUPAC Nametert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)F
InChIInChI=1S/C10H21FN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-8(11)12/h8H,4-7,12H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyNYYRMUFXVBWGRN-QMMMGPOBSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
tert-butyl N-[(5S)-5-amino-6,6-dihydroxyhexyl]carbamate
CID 165157652
tert-butyl N-[(5R)-5-aminoheptyl]carbamate
CID 163765296
tert-butyl N-[(5S)-5,6-diaminohexyl]carbamate
CID 10704705
[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
CID 176804186
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
(3S)-3-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 53486162
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate?
The IUPAC name of tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate (CID 90126597) is tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate?
The canonical SMILES for tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate is CC(C)(C)OC(=O)NCCCC[C@H](N)F.
What is the InChIKey of tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate?
The InChIKey is NYYRMUFXVBWGRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21FN2O2/c1-10(2,3)15-9(14)13-7-5-4-6-8(11)12/h8H,4-7,12H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate?
tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate has a molecular weight of 220.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate is sourced from PubChem (CID 90126597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).