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

C7H13N5O3 — CID 135352505

IUPAC2-amino-5-[(2-azidoacetyl)amino]pentanoic acid
SMILES[N-]=[N+]=NCC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C7H13N5O3/c8-5(7(14)15)2-1-3-10-6(13)4-11-12-9/h5H,1-4,8H2,(H,10,13)(H,14,15)
InChIKeyKIXWGYQGGBYZJX-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.40
Rot. Bonds7

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

2-amino-5-[(2-azidoacetyl)amino]pentanoic acid (PubChem CID 135352505) has the molecular formula C7H13N5O3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[(2-azidoacetyl)amino]pentanoic acid
PubChem CID135352505
Molecular FormulaC7H13N5O3
Molecular Weight215.21 g/mol
Exact Mass215.10
IUPAC Name2-amino-5-[(2-azidoacetyl)amino]pentanoic acid
SMILES[N-]=[N+]=NCC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C7H13N5O3/c8-5(7(14)15)2-1-3-10-6(13)4-11-12-9/h5H,1-4,8H2,(H,10,13)(H,14,15)
InChIKeyKIXWGYQGGBYZJX-UHFFFAOYSA-N
XLogP-0.40
TPSA141.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
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

methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
(2S)-2-amino-5-(3-aminopropanoylamino)pentanoic acid
CID 87358658
(2S)-2-amino-6-(2-azidoethylperoxycarbonylamino)hexanoic acid
CID 141454494
2,6-diamino-12-azido-7,11-dioxododecanoic acid
CID 175304570
N-[(4S)-4-amino-4-carboxybutyl]carbamate
CID 153456088
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylcarbamoylamino)pentanoic acid
CID 101417077
2-azido-N-octylacetamide
CID 91620085
(2S)-2-amino-6-(2-azidoethoxycarbonylamino)hexanoic acid;2,2,2-trifluoroacetic acid
CID 131740374
2-amino-5-(carbamoylamino)pentanoic acid;2-(2-diazohydrazinyl)-3-methylbutanoic acid
CID 175440426

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid?
The IUPAC name of 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid (CID 135352505) is 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid is [N-]=[N+]=NCC(=O)NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid?
The InChIKey is KIXWGYQGGBYZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3/c8-5(7(14)15)2-1-3-10-6(13)4-11-12-9/h5H,1-4,8H2,(H,10,13)(H,14,15).
What are the key properties of 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid?
2-amino-5-[(2-azidoacetyl)amino]pentanoic acid has a molecular weight of 215.21 g/mol, XLogP of -0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2-azidoacetyl)amino]pentanoic acid is sourced from PubChem (CID 135352505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).