tert-butyl (2S)-2-amino-5-azidopentanoate

C9H18N4O2 — CID 150134039

IUPACtert-butyl (2S)-2-amino-5-azidopentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O2/c1-9(2,3)15-8(14)7(10)5-4-6-12-13-11/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKeyFBVWPTONQZMGCG-ZETCQYMHSA-N
MW214.27 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl (2S)-2-amino-5-azidopentanoate

tert-butyl (2S)-2-amino-5-azidopentanoate (PubChem CID 150134039) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-5-azidopentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-5-azidopentanoate
PubChem CID150134039
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Nametert-butyl (2S)-2-amino-5-azidopentanoate
SMILESCC(C)(C)OC(=O)[C@@H](N)CCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O2/c1-9(2,3)15-8(14)7(10)5-4-6-12-13-11/h7H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKeyFBVWPTONQZMGCG-ZETCQYMHSA-N
XLogP1.75
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 7016373
tert-butyl (2S)-2-amino-5-bromopentanoate
CID 11368747
tert-butyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;dihydrochloride
CID 66575041
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
tert-butyl N-[(5R)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 168911676
tert-butyl N-[(5S)-5-amino-6-(3-azidopropylamino)-6-oxohexyl]carbamate
CID 170607029
tert-butyl 2-amino-5-fluoropentanoate
CID 5323645
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 2-aminooctadecanoate
CID 85318598
ditert-butyl (2S)-2-aminoheptanedioate
CID 129411968

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-5-azidopentanoate?
The IUPAC name of tert-butyl (2S)-2-amino-5-azidopentanoate (CID 150134039) is tert-butyl (2S)-2-amino-5-azidopentanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-5-azidopentanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-5-azidopentanoate is CC(C)(C)OC(=O)[C@@H](N)CCCN=[N+]=[N-].
What is the InChIKey of tert-butyl (2S)-2-amino-5-azidopentanoate?
The InChIKey is FBVWPTONQZMGCG-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-9(2,3)15-8(14)7(10)5-4-6-12-13-11/h7H,4-6,10H2,1-3H3/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-5-azidopentanoate?
tert-butyl (2S)-2-amino-5-azidopentanoate has a molecular weight of 214.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-5-azidopentanoate is sourced from PubChem (CID 150134039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).