2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate

C7H13BrN2O3 — CID 114329061

IUPAC2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
SMILESCC(C)(Br)C(=O)NCCOC(N)=O
InChIInChI=1S/C7H13BrN2O3/c1-7(2,8)5(11)10-3-4-13-6(9)12/h3-4H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyHSVORDWYKNDQEG-UHFFFAOYSA-N
MW253.10 g/mol
LogP0.37
Rot. Bonds4

About 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate

2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate (PubChem CID 114329061) has the molecular formula C7H13BrN2O3 and a molecular weight of 253.10 g/mol. Its IUPAC name is 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
PubChem CID114329061
Molecular FormulaC7H13BrN2O3
Molecular Weight253.10 g/mol
Exact Mass252.01
IUPAC Name2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
SMILESCC(C)(Br)C(=O)NCCOC(N)=O
InChIInChI=1S/C7H13BrN2O3/c1-7(2,8)5(11)10-3-4-13-6(9)12/h3-4H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyHSVORDWYKNDQEG-UHFFFAOYSA-N
XLogP0.37
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-2-methylpropanoyl)amino]ethyl 2-methylpropanoate
CID 176959577
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
2-[(2-amino-2-methylbutanoyl)amino]ethyl carbamate
CID 83211882
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2,2,2-trifluoroacetic acid;2-[(2,2,2-trifluoroacetyl)amino]ethyl carbamate
CID 175565689
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
CID 83203999

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate (CID 114329061) is 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate is CC(C)(Br)C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate?
The InChIKey is HSVORDWYKNDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BrN2O3/c1-7(2,8)5(11)10-3-4-13-6(9)12/h3-4H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate?
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate has a molecular weight of 253.10 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate is sourced from PubChem (CID 114329061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).