(2S,3S)-2-amino-4-azido-3-methylbutanoic acid

C5H10N4O2 — CID 162717706

IUPAC(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
SMILESC[C@@H](CN=[N+]=[N-])[C@H](N)C(=O)O
InChIInChI=1S/C5H10N4O2/c1-3(2-8-9-7)4(6)5(10)11/h3-4H,2,6H2,1H3,(H,10,11)/t3-,4-/m0/s1
InChIKeyAXROZBQNFHIPPX-IMJSIDKUSA-N
MW158.16 g/mol
LogP0.34
Rot. Bonds4

About (2S,3S)-2-amino-4-azido-3-methylbutanoic acid

(2S,3S)-2-amino-4-azido-3-methylbutanoic acid (PubChem CID 162717706) has the molecular formula C5H10N4O2 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2S,3S)-2-amino-4-azido-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
PubChem CID162717706
Molecular FormulaC5H10N4O2
Molecular Weight158.16 g/mol
Exact Mass158.08
IUPAC Name(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
SMILESC[C@@H](CN=[N+]=[N-])[C@H](N)C(=O)O
InChIInChI=1S/C5H10N4O2/c1-3(2-8-9-7)4(6)5(10)11/h3-4H,2,6H2,1H3,(H,10,11)/t3-,4-/m0/s1
InChIKeyAXROZBQNFHIPPX-IMJSIDKUSA-N
XLogP0.34
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze (2S,3S)-2-amino-4-azido-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-azido-2-methylpropanoic acid
CID 13116883
(2S)-2-amino-3-azidobutanoic acid
CID 140958168
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
CID 58481212
CID 58481212
(2R)-2-amino-4-fluoro-3-methylbutanoic acid;hydrochloride
CID 88817643
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
2-amino-3-methylpentanoic acid;manganese
CID 175109832
(2R,3S)-2-amino-3-methylpentanedioic acid
CID 6604760
2-amino-3-methylpentanoic acid;azane
CID 87185080
sodium (2S,3S)-2-amino-3-methylpentanoic acid
CID 71594993
(2S,3R)-2-amino-3-methylpentanoic acid;hydrate
CID 162355380

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-4-azido-3-methylbutanoic acid?
The IUPAC name of (2S,3S)-2-amino-4-azido-3-methylbutanoic acid (CID 162717706) is (2S,3S)-2-amino-4-azido-3-methylbutanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-4-azido-3-methylbutanoic acid?
The canonical SMILES for (2S,3S)-2-amino-4-azido-3-methylbutanoic acid is C[C@@H](CN=[N+]=[N-])[C@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-4-azido-3-methylbutanoic acid?
The InChIKey is AXROZBQNFHIPPX-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10N4O2/c1-3(2-8-9-7)4(6)5(10)11/h3-4H,2,6H2,1H3,(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-2-amino-4-azido-3-methylbutanoic acid?
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid has a molecular weight of 158.16 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-4-azido-3-methylbutanoic acid is sourced from PubChem (CID 162717706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).