(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

C11H20N4O4 — CID 102379954

IUPAC(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)[C@@](CN=[N+]=[N-])(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20N4O4/c1-7(2)11(8(16)17,6-13-15-12)14-9(18)19-10(3,4)5/h7H,6H2,1-5H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeySDLUHEFBTJMFSQ-LLVKDONJSA-N
MW272.31 g/mol
LogP2.30
Rot. Bonds5

About (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (PubChem CID 102379954) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
PubChem CID102379954
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILESCC(C)[C@@](CN=[N+]=[N-])(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H20N4O4/c1-7(2)11(8(16)17,6-13-15-12)14-9(18)19-10(3,4)5/h7H,6H2,1-5H3,(H,14,18)(H,16,17)/t11-/m1/s1
InChIKeySDLUHEFBTJMFSQ-LLVKDONJSA-N
XLogP2.30
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid with MolForge

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Related Compounds

4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 18423821
methyl 4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23385789
tert-butyl N-[3-(3-azido-2,2-dimethylpropoxy)-2,2-dimethylpropyl]carbamate
CID 166914726
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate
CID 58981724
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
tert-butyl N-(9-azidononyl)carbamate
CID 138393789
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
(2R)-6-azido-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]hexanoic acid
CID 71583251
methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 10989838
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The IUPAC name of (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid (CID 102379954) is (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid.
What is the SMILES notation for (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The canonical SMILES for (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is CC(C)[C@@](CN=[N+]=[N-])(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
The InChIKey is SDLUHEFBTJMFSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-7(2)11(8(16)17,6-13-15-12)14-9(18)19-10(3,4)5/h7H,6H2,1-5H3,(H,14,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid?
(2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid has a molecular weight of 272.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azidomethyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid is sourced from PubChem (CID 102379954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).