ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate

C9H16BrNO3 — CID 107905016

IUPACethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(C)Br
InChIInChI=1S/C9H16BrNO3/c1-4-11(9(13)7(3)10)6-8(12)14-5-2/h7H,4-6H2,1-3H3
InChIKeyXAVPVMRMPGAMTI-UHFFFAOYSA-N
MW266.13 g/mol
LogP1.18
Rot. Bonds5

About ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate

ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate (PubChem CID 107905016) has the molecular formula C9H16BrNO3 and a molecular weight of 266.13 g/mol. Its IUPAC name is ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
PubChem CID107905016
Molecular FormulaC9H16BrNO3
Molecular Weight266.13 g/mol
Exact Mass265.03
IUPAC Nameethyl 2-[2-bromopropanoyl(ethyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(C)Br
InChIInChI=1S/C9H16BrNO3/c1-4-11(9(13)7(3)10)6-8(12)14-5-2/h7H,4-6H2,1-3H3
InChIKeyXAVPVMRMPGAMTI-UHFFFAOYSA-N
XLogP1.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 61021514
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ethyl 2-[carbonochloridoyl(ethyl)amino]acetate
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ethyl 2-[2-(4-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012258
2-[carboxymethyl-[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]acetic acid
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(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
4-[(2-ethoxy-2-oxoethyl)-propylamino]-2,3-dimethyl-4-oxobutanoic acid
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ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
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CID 61022826

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate (CID 107905016) is ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate is CCOC(=O)CN(CC)C(=O)C(C)Br.
What is the InChIKey of ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate?
The InChIKey is XAVPVMRMPGAMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO3/c1-4-11(9(13)7(3)10)6-8(12)14-5-2/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate?
ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate has a molecular weight of 266.13 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-bromopropanoyl(ethyl)amino]acetate is sourced from PubChem (CID 107905016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).