[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate

C9H17N5O4 — CID 122607485

IUPAC[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate
SMILES[N-]=[N+]=NCCOC(=O)NCCCCC(N)OC=O
InChIInChI=1S/C9H17N5O4/c10-8(18-7-15)3-1-2-4-12-9(16)17-6-5-13-14-11/h7-8H,1-6,10H2,(H,12,16)
InChIKeyGZSHDVQBNUBDDH-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.65
Rot. Bonds10

About [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate

[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate (PubChem CID 122607485) has the molecular formula C9H17N5O4 and a molecular weight of 259.27 g/mol. Its IUPAC name is [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate.

Molecular Properties

Compound Name[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate
PubChem CID122607485
Molecular FormulaC9H17N5O4
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate
SMILES[N-]=[N+]=NCCOC(=O)NCCCCC(N)OC=O
InChIInChI=1S/C9H17N5O4/c10-8(18-7-15)3-1-2-4-12-9(16)17-6-5-13-14-11/h7-8H,1-6,10H2,(H,12,16)
InChIKeyGZSHDVQBNUBDDH-UHFFFAOYSA-N
XLogP0.65
TPSA139.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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'}

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Related Compounds

(2S)-2-amino-6-(2-azidoethoxycarbonylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 131740374
2-azidoethyl N-[(5S)-5-acetamido-6-oxoheptyl]carbamate
CID 167653306
[(1R)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] formate
CID 176804186
2,6-bis(3-azidopropoxycarbonylamino)hexanoic acid
CID 90390462
(2S)-2-amino-6-(2-azidoethylperoxycarbonylamino)hexanoic acid
CID 141454494
3-[(5-amino-5-formyloxypentyl)amino]-3-oxopropanoic acid
CID 89403463
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
[(1R)-1-amino-5-(2-hydroxypent-4-ynoylamino)pentyl] formate
CID 89403450
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343
[(1R)-1-amino-5-(1,3-thiazolidine-4-carbonylamino)pentyl] formate
CID 89403467

Frequently Asked Questions

What is the IUPAC name of [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate?
The IUPAC name of [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate (CID 122607485) is [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate.
What is the SMILES notation for [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate?
The canonical SMILES for [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate is [N-]=[N+]=NCCOC(=O)NCCCCC(N)OC=O.
What is the InChIKey of [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate?
The InChIKey is GZSHDVQBNUBDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4/c10-8(18-7-15)3-1-2-4-12-9(16)17-6-5-13-14-11/h7-8H,1-6,10H2,(H,12,16).
What are the key properties of [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate?
[1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate has a molecular weight of 259.27 g/mol, XLogP of 0.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-5-(2-azidoethoxycarbonylamino)pentyl] formate is sourced from PubChem (CID 122607485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).