methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate

C10H20N4O2 — CID 66191015

IUPACmethyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
SMILESCOC(=O)C(CC(C)(C)C)NCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O2/c1-10(2,3)7-8(9(15)16-4)12-5-6-13-14-11/h8,12H,5-7H2,1-4H3
InChIKeyABRNJXBNTJYSHH-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.86
Rot. Bonds6

About methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate

methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate (PubChem CID 66191015) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
PubChem CID66191015
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Namemethyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
SMILESCOC(=O)C(CC(C)(C)C)NCCN=[N+]=[N-]
InChIInChI=1S/C10H20N4O2/c1-10(2,3)7-8(9(15)16-4)12-5-6-13-14-11/h8,12H,5-7H2,1-4H3
InChIKeyABRNJXBNTJYSHH-UHFFFAOYSA-N
XLogP1.86
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

2-(2-azidoethylamino)-4,4-dimethylpentanamide
CID 66190065
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227
methyl 2-[2-(dimethylamino)ethylamino]-4,4-dimethylpentanoate
CID 62950242
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491
methyl 4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23385789
2-(2-azidoethylamino)pentanoic acid
CID 66191397
3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
methyl 2-(2-azidoethylamino)-2-(3,5-difluorophenyl)acetate
CID 106528993
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
tert-butyl (2S)-4-(2-azidoethylamino)-2-(tert-butylamino)butanoate
CID 176583516
tert-butyl 16-[[(2S)-4-azido-1-methoxy-1-oxobutan-2-yl]amino]-6-oxohexadecanoate
CID 121334866
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
CID 59749614

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate?
The IUPAC name of methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate (CID 66191015) is methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate?
The canonical SMILES for methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate is COC(=O)C(CC(C)(C)C)NCCN=[N+]=[N-].
What is the InChIKey of methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate?
The InChIKey is ABRNJXBNTJYSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-10(2,3)7-8(9(15)16-4)12-5-6-13-14-11/h8,12H,5-7H2,1-4H3.
What are the key properties of methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate?
methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate has a molecular weight of 228.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate is sourced from PubChem (CID 66191015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).