tert-butyl (4R)-4-aminopentanoate

C9H19NO2 — CID 58781983

IUPACtert-butyl (4R)-4-aminopentanoate
SMILESC[C@@H](N)CCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(10)5-6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3/t7-/m1/s1
InChIKeyWAOWMAGPPDFHBR-SSDOTTSWSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds3

About tert-butyl (4R)-4-aminopentanoate

tert-butyl (4R)-4-aminopentanoate (PubChem CID 58781983) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl (4R)-4-aminopentanoate.

Molecular Properties

Compound Nametert-butyl (4R)-4-aminopentanoate
PubChem CID58781983
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl (4R)-4-aminopentanoate
SMILESC[C@@H](N)CCC(=O)OC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-7(10)5-6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3/t7-/m1/s1
InChIKeyWAOWMAGPPDFHBR-SSDOTTSWSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl 4,5-diaminopentanoate
CID 54288904
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(2S,3S)-2-amino-3-methyl-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid
CID 54069607
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
CID 112588145
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968
ditert-butyl (2R)-2-bromopentanedioate
CID 178130237
ditert-butyl 4-amino-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]octanedioate
CID 88883424
tert-butyl 4,8-diaminooctanoate
CID 155444691
tert-butyl 5-amino-5-bromo-4-oxopentanoate
CID 57006821
tert-butyl 4,4-bis(methylamino)butanoate
CID 89422372

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-aminopentanoate?
The IUPAC name of tert-butyl (4R)-4-aminopentanoate (CID 58781983) is tert-butyl (4R)-4-aminopentanoate.
What is the SMILES notation for tert-butyl (4R)-4-aminopentanoate?
The canonical SMILES for tert-butyl (4R)-4-aminopentanoate is C[C@@H](N)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-aminopentanoate?
The InChIKey is WAOWMAGPPDFHBR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(10)5-6-8(11)12-9(2,3)4/h7H,5-6,10H2,1-4H3/t7-/m1/s1.
What are the key properties of tert-butyl (4R)-4-aminopentanoate?
tert-butyl (4R)-4-aminopentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-aminopentanoate is sourced from PubChem (CID 58781983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).