methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate

C10H18ClNO3 — CID 63665289

IUPACmethyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H18ClNO3/c1-5-12(6-8(13)15-4)9(14)10(2,3)7-11/h5-7H2,1-4H3
InChIKeyMMYYJRCLJSIFQH-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.27
Rot. Bonds5

About methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate

methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate (PubChem CID 63665289) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate
PubChem CID63665289
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Namemethyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)C(C)(C)CCl
InChIInChI=1S/C10H18ClNO3/c1-5-12(6-8(13)15-4)9(14)10(2,3)7-11/h5-7H2,1-4H3
InChIKeyMMYYJRCLJSIFQH-UHFFFAOYSA-N
XLogP1.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.27
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

N-(2-amino-2-oxoethyl)-3-chloro-N-ethyl-2,2-dimethylpropanamide
CID 103101636
methyl 2-[2,2-dimethylbutanoyl(propyl)amino]acetate
CID 62679600
methyl 2-[(2-cyano-2-methylbutanoyl)-ethylamino]acetate
CID 114291310
3-chloro-N-(cyclobutylmethyl)-N-ethyl-2,2-dimethylpropanamide
CID 107397616
3-chloro-2,2-dimethyl-N,N-dipropylpropanamide
CID 63680887
methyl 2-[(3-chloro-2-methylpropanoyl)-ethylamino]acetate
CID 62728356
methyl 2-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]acetate
CID 112603588
(2S)-2-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 54998374
methyl 2-[diethylcarbamoyl(methyl)amino]acetate
CID 79161782
methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 55151953
methyl 2-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]acetate
CID 61383689
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate (CID 63665289) is methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)C(C)(C)CCl.
What is the InChIKey of methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate?
The InChIKey is MMYYJRCLJSIFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO3/c1-5-12(6-8(13)15-4)9(14)10(2,3)7-11/h5-7H2,1-4H3.
What are the key properties of methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate?
methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate has a molecular weight of 235.71 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2,2-dimethylpropanoyl)-ethylamino]acetate is sourced from PubChem (CID 63665289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).