5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid

C9H16N6O4 — CID 134444367

IUPAC5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid
SMILES[N-]=[N+]=NCC(=O)NCC(=O)NC(CCCN)C(=O)O
InChIInChI=1S/C9H16N6O4/c10-3-1-2-6(9(18)19)14-8(17)4-12-7(16)5-13-15-11/h6H,1-5,10H2,(H,12,16)(H,14,17)(H,18,19)
InChIKeyFESCCCWBMCKBGZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP-1.28
Rot. Bonds9

About 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid

5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid (PubChem CID 134444367) has the molecular formula C9H16N6O4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid
PubChem CID134444367
Molecular FormulaC9H16N6O4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid
SMILES[N-]=[N+]=NCC(=O)NCC(=O)NC(CCCN)C(=O)O
InChIInChI=1S/C9H16N6O4/c10-3-1-2-6(9(18)19)14-8(17)4-12-7(16)5-13-15-11/h6H,1-5,10H2,(H,12,16)(H,14,17)(H,18,19)
InChIKeyFESCCCWBMCKBGZ-UHFFFAOYSA-N
XLogP-1.28
TPSA170.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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

(2S)-6-amino-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]hexanoic acid
CID 14299171
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
(2S)-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 175721919
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
CID 7015183
(2S)-2-[(2-azidoacetyl)amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 101413014
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
(2S)-6-amino-2-[[(2S)-2-[[2-(4-aminobutanoylamino)acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
CID 175915995
(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]hexanoic acid
CID 134826235
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 175724367

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid (CID 134444367) is 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid is [N-]=[N+]=NCC(=O)NCC(=O)NC(CCCN)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is FESCCCWBMCKBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O4/c10-3-1-2-6(9(18)19)14-8(17)4-12-7(16)5-13-15-11/h6H,1-5,10H2,(H,12,16)(H,14,17)(H,18,19).
What are the key properties of 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid?
5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 272.27 g/mol, XLogP of -1.28, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-[(2-azidoacetyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 134444367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).