tert-butyl 2-amino-5-piperazin-1-ylpentanoate

C13H27N3O2 — CID 57355020

IUPACtert-butyl 2-amino-5-piperazin-1-ylpentanoate
SMILESCC(C)(C)OC(=O)C(N)CCCN1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)11(14)5-4-8-16-9-6-15-7-10-16/h11,15H,4-10,14H2,1-3H3
InChIKeyQQAGCDJMQSIJIG-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds5

About tert-butyl 2-amino-5-piperazin-1-ylpentanoate

tert-butyl 2-amino-5-piperazin-1-ylpentanoate (PubChem CID 57355020) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is tert-butyl 2-amino-5-piperazin-1-ylpentanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-5-piperazin-1-ylpentanoate
PubChem CID57355020
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nametert-butyl 2-amino-5-piperazin-1-ylpentanoate
SMILESCC(C)(C)OC(=O)C(N)CCCN1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)11(14)5-4-8-16-9-6-15-7-10-16/h11,15H,4-10,14H2,1-3H3
InChIKeyQQAGCDJMQSIJIG-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl (2R)-2,6-diaminohexanoate
CID 92978498
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl (2S)-2-aminoheptanoate
CID 88862421
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
ditert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-7-(11-piperazin-1-ylundecanoylamino)heptan-2-yl]carbamoylamino]pentanedioate
CID 138627604
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059
tert-butyl 2-[5-(2-piperazin-1-ylethoxy)pentoxy]acetate
CID 144664368
tert-butyl 2-aminooctadecanoate
CID 85318598
1-[(6R)-6-methoxy-10,10-dimethylundecyl]piperazine
CID 118887793
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-5-piperazin-1-ylpentanoate?
The IUPAC name of tert-butyl 2-amino-5-piperazin-1-ylpentanoate (CID 57355020) is tert-butyl 2-amino-5-piperazin-1-ylpentanoate.
What is the SMILES notation for tert-butyl 2-amino-5-piperazin-1-ylpentanoate?
The canonical SMILES for tert-butyl 2-amino-5-piperazin-1-ylpentanoate is CC(C)(C)OC(=O)C(N)CCCN1CCNCC1.
What is the InChIKey of tert-butyl 2-amino-5-piperazin-1-ylpentanoate?
The InChIKey is QQAGCDJMQSIJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)18-12(17)11(14)5-4-8-16-9-6-15-7-10-16/h11,15H,4-10,14H2,1-3H3.
What are the key properties of tert-butyl 2-amino-5-piperazin-1-ylpentanoate?
tert-butyl 2-amino-5-piperazin-1-ylpentanoate has a molecular weight of 257.38 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-5-piperazin-1-ylpentanoate is sourced from PubChem (CID 57355020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).