tert-butyl 5-aminopentanoate

C9H19NO2 — CID 10607312

IUPACtert-butyl 5-aminopentanoate
SMILESCC(C)(C)OC(=O)CCCCN
InChIInChI=1S/C9H19NO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7,10H2,1-3H3
InChIKeyZJUJPZBBBNJPTI-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.46
Rot. Bonds4

About tert-butyl 5-aminopentanoate

tert-butyl 5-aminopentanoate (PubChem CID 10607312) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is tert-butyl 5-aminopentanoate.

Molecular Properties

Compound Nametert-butyl 5-aminopentanoate
PubChem CID10607312
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nametert-butyl 5-aminopentanoate
SMILESCC(C)(C)OC(=O)CCCCN
InChIInChI=1S/C9H19NO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7,10H2,1-3H3
InChIKeyZJUJPZBBBNJPTI-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-(aminomethyl)-4-methylpentanoate
CID 58278370
Tert-butyl 5-aminopentanoate hydrochloride
CID 71757718
Tert-butyl 6-aminohexanoate hydrochloride
CID 71758555
Tert-butyl 5-(methylamino)pentanoate hydrochloride
CID 138987452
Tert-butyl 6-aminohexanoate
CID 10750089
Tert-butyl 4-aminopentanoate
CID 12338829
Tert-butyl 3-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
CID 155822576
rac-tert-butyl(1R,2R)-2-(aminomethyl)cyclopropane-1-carboxylatehydrochloride
CID 165671925
Tert-butyl 2,5-diaminopentanoate
CID 20526982
Tert-butyl 5-amino-4-oxopentanoate
CID 71412788
Tert-butyl 5-amino-5-fluoro-4-oxopentanoate
CID 57200643
Tert-butyl 5-(methylamino)pentanoate
CID 91587452

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-aminopentanoate?
The IUPAC name of tert-butyl 5-aminopentanoate (CID 10607312) is tert-butyl 5-aminopentanoate.
What is the SMILES notation for tert-butyl 5-aminopentanoate?
The canonical SMILES for tert-butyl 5-aminopentanoate is CC(C)(C)OC(=O)CCCCN.
What is the InChIKey of tert-butyl 5-aminopentanoate?
The InChIKey is ZJUJPZBBBNJPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)12-8(11)6-4-5-7-10/h4-7,10H2,1-3H3.
What are the key properties of tert-butyl 5-aminopentanoate?
tert-butyl 5-aminopentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-aminopentanoate is sourced from PubChem (CID 10607312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).