(2S)-2-(aminodiazenyl)pent-4-ynoic acid

C5H7N3O2 — CID 130311469

IUPAC(2S)-2-(aminodiazenyl)pent-4-ynoic acid
SMILESC#CC[C@H](/N=N/N)C(=O)O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6/h1,4H,3H2,(H2,6,7)(H,9,10)/t4-/m0/s1
InChIKeyUIZFMJPSCCRTQD-BYPYZUCNSA-N
MW141.13 g/mol
LogP-0.21
Rot. Bonds3

About (2S)-2-(aminodiazenyl)pent-4-ynoic acid

(2S)-2-(aminodiazenyl)pent-4-ynoic acid (PubChem CID 130311469) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is (2S)-2-(aminodiazenyl)pent-4-ynoic acid.

Molecular Properties

Compound Name(2S)-2-(aminodiazenyl)pent-4-ynoic acid
PubChem CID130311469
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name(2S)-2-(aminodiazenyl)pent-4-ynoic acid
SMILESC#CC[C@H](/N=N/N)C(=O)O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6/h1,4H,3H2,(H2,6,7)(H,9,10)/t4-/m0/s1
InChIKeyUIZFMJPSCCRTQD-BYPYZUCNSA-N
XLogP-0.21
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-aminopent-4-ynoic acid;hydrochloride
CID 53229946
2-methylpent-4-ynoic acid;hydrochloride
CID 88647692
2-(carbamoylamino)pent-4-ynoic acid
CID 56660957
2-(chloromethyl)pent-4-ynoic acid
CID 175138142
2-prop-2-ynylpent-4-ynyl hydrogen carbonate
CID 90390377
2-prop-1-en-2-ylpent-4-ynoic acid
CID 22614004
2-(methylsulfamoylamino)pent-4-ynoic acid
CID 114806925
(2S)-2-amino-3-(3-aminopropyl)hex-5-ynoic acid
CID 175456295
bis(2-prop-2-ynylpent-4-ynyl) carbonate
CID 90390376
3,4-dimethyl-2-prop-2-ynylhex-3-enoic acid
CID 173326512
(2S)-2-[[(2R)-2-amino-3-carboxypropanoyl]amino]pent-4-ynoic acid
CID 129381095
4-hydroxyhept-6-ynoic acid
CID 55299360

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminodiazenyl)pent-4-ynoic acid?
The IUPAC name of (2S)-2-(aminodiazenyl)pent-4-ynoic acid (CID 130311469) is (2S)-2-(aminodiazenyl)pent-4-ynoic acid.
What is the SMILES notation for (2S)-2-(aminodiazenyl)pent-4-ynoic acid?
The canonical SMILES for (2S)-2-(aminodiazenyl)pent-4-ynoic acid is C#CC[C@H](/N=N/N)C(=O)O.
What is the InChIKey of (2S)-2-(aminodiazenyl)pent-4-ynoic acid?
The InChIKey is UIZFMJPSCCRTQD-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6/h1,4H,3H2,(H2,6,7)(H,9,10)/t4-/m0/s1.
What are the key properties of (2S)-2-(aminodiazenyl)pent-4-ynoic acid?
(2S)-2-(aminodiazenyl)pent-4-ynoic acid has a molecular weight of 141.13 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminodiazenyl)pent-4-ynoic acid is sourced from PubChem (CID 130311469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).