(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide

C10H19N5O2 — CID 71408030

IUPAC(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N=[N+]=[N-]
InChIInChI=1S/C10H19N5O2/c1-6(2)8(10(17)13-14-11)12-9(16)7(3)15(4)5/h6-8H,1-5H3,(H,12,16)/t7-,8-/m0/s1
InChIKeyDKJCGGPJHNEGIU-YUMQZZPRSA-N
MW241.29 g/mol
LogP0.91
Rot. Bonds5

About (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide

(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide (PubChem CID 71408030) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide
PubChem CID71408030
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide
SMILESCC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N=[N+]=[N-]
InChIInChI=1S/C10H19N5O2/c1-6(2)8(10(17)13-14-11)12-9(16)7(3)15(4)5/h6-8H,1-5H3,(H,12,16)/t7-,8-/m0/s1
InChIKeyDKJCGGPJHNEGIU-YUMQZZPRSA-N
XLogP0.91
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
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)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide 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

2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,N,3-trimethylbutanamide
CID 166777631
(2S,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanoyl azide
CID 169205481
2-ethylpropanedioyl diazide
CID 86655983
2-(dimethylamino)-4-methylpentan-3-one
CID 22983306
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
CID 154976995
2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
(2S)-2-(2-carboxypropanoylamino)-3-methylbutanoic acid
CID 122065069
(2S)-2-(4-azidobutanoylamino)-N-[6-[[(2S)-2-(4-azidobutanoylamino)-3-methylbutanoyl]amino]hexyl]-3-methylbutanamide
CID 132577374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide?
The IUPAC name of (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide (CID 71408030) is (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide.
What is the SMILES notation for (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide?
The canonical SMILES for (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide is CC(C)[C@H](NC(=O)[C@H](C)N(C)C)C(=O)N=[N+]=[N-].
What is the InChIKey of (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide?
The InChIKey is DKJCGGPJHNEGIU-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-6(2)8(10(17)13-14-11)12-9(16)7(3)15(4)5/h6-8H,1-5H3,(H,12,16)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide?
(2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide has a molecular weight of 241.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(dimethylamino)propanoyl]amino]-3-methylbutanoyl azide is sourced from PubChem (CID 71408030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).