(2S)-4-azido-2-hydrazinylbutanoic acid

C4H9N5O2 — CID 89379573

IUPAC(2S)-4-azido-2-hydrazinylbutanoic acid
SMILES[N-]=[N+]=NCC[C@H](NN)C(=O)O
InChIInChI=1S/C4H9N5O2/c5-8-3(4(10)11)1-2-7-9-6/h3,8H,1-2,5H2,(H,10,11)/t3-/m0/s1
InChIKeyKXWPJEBRGKANKQ-VKHMYHEASA-N
MW159.15 g/mol
LogP-0.40
Rot. Bonds5

About (2S)-4-azido-2-hydrazinylbutanoic acid

(2S)-4-azido-2-hydrazinylbutanoic acid (PubChem CID 89379573) has the molecular formula C4H9N5O2 and a molecular weight of 159.15 g/mol. Its IUPAC name is (2S)-4-azido-2-hydrazinylbutanoic acid.

Molecular Properties

Compound Name(2S)-4-azido-2-hydrazinylbutanoic acid
PubChem CID89379573
Molecular FormulaC4H9N5O2
Molecular Weight159.15 g/mol
Exact Mass159.08
IUPAC Name(2S)-4-azido-2-hydrazinylbutanoic acid
SMILES[N-]=[N+]=NCC[C@H](NN)C(=O)O
InChIInChI=1S/C4H9N5O2/c5-8-3(4(10)11)1-2-7-9-6/h3,8H,1-2,5H2,(H,10,11)/t3-/m0/s1
InChIKeyKXWPJEBRGKANKQ-VKHMYHEASA-N
XLogP-0.40
TPSA124.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
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': 'Azido_group', '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'}

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Related Compounds

4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 18423821
(2S)-2-hydrazinyl-4-hydroxybutanoic acid
CID 150765964
2-(2-azidoethylamino)pentanoic acid
CID 66191397
16-[(3-azido-1-carboxypropyl)amino]-6-oxohexadecanoic acid
CID 134363451
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
CID 59749614
(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
CID 150696785
4-azido-2-ethylbutanoic acid
CID 131985963
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
2-(3-azidopropylamino)-3-hydroxypropanoic acid
CID 104711302
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701

Frequently Asked Questions

What is the IUPAC name of (2S)-4-azido-2-hydrazinylbutanoic acid?
The IUPAC name of (2S)-4-azido-2-hydrazinylbutanoic acid (CID 89379573) is (2S)-4-azido-2-hydrazinylbutanoic acid.
What is the SMILES notation for (2S)-4-azido-2-hydrazinylbutanoic acid?
The canonical SMILES for (2S)-4-azido-2-hydrazinylbutanoic acid is [N-]=[N+]=NCC[C@H](NN)C(=O)O.
What is the InChIKey of (2S)-4-azido-2-hydrazinylbutanoic acid?
The InChIKey is KXWPJEBRGKANKQ-VKHMYHEASA-N. The full InChI is InChI=1S/C4H9N5O2/c5-8-3(4(10)11)1-2-7-9-6/h3,8H,1-2,5H2,(H,10,11)/t3-/m0/s1.
What are the key properties of (2S)-4-azido-2-hydrazinylbutanoic acid?
(2S)-4-azido-2-hydrazinylbutanoic acid has a molecular weight of 159.15 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-azido-2-hydrazinylbutanoic acid is sourced from PubChem (CID 89379573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).