ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate

C14H27NO4 — CID 134521270

IUPACethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate
SMILESCCOC(=O)CC(N(CC)C(=O)OCC)C(C)(C)C
InChIInChI=1S/C14H27NO4/c1-7-15(13(17)19-9-3)11(14(4,5)6)10-12(16)18-8-2/h11H,7-10H2,1-6H3
InChIKeyHGDINNKQQXRTFZ-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.83
Rot. Bonds6

About ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate

ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate (PubChem CID 134521270) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate
PubChem CID134521270
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate
SMILESCCOC(=O)CC(N(CC)C(=O)OCC)C(C)(C)C
InChIInChI=1S/C14H27NO4/c1-7-15(13(17)19-9-3)11(14(4,5)6)10-12(16)18-8-2/h11H,7-10H2,1-6H3
InChIKeyHGDINNKQQXRTFZ-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
ethyl 3-[cyclohexyl(ethoxycarbonyl)amino]-4,4-dimethylpentanoate
CID 134521175
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272
ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate
CID 134521117
N-[(2S)-3,3-dimethylbutan-2-yl]-N-ethylacetamide
CID 126737316
ethyl (2S)-2-[ethoxycarbonyl(ethyl)amino]-4-methylpentanoate
CID 155570536
ethyl 2-[ethyl(propan-2-yl)carbamoyl]-3,3-dimethylbutanoate
CID 116537733
ethyl (4S)-4,5-dimethyl-3-oxohexanoate
CID 118282267
ethyl 4-methoxy-5-methyl-3-oxohexanoate
CID 116728028
ethyl 3-[(4-ethoxy-4-oxobutan-2-yl)amino]butanoate
CID 121011286

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate?
The IUPAC name of ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate (CID 134521270) is ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate.
What is the SMILES notation for ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate?
The canonical SMILES for ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate is CCOC(=O)CC(N(CC)C(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate?
The InChIKey is HGDINNKQQXRTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-7-15(13(17)19-9-3)11(14(4,5)6)10-12(16)18-8-2/h11H,7-10H2,1-6H3.
What are the key properties of ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate?
ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate has a molecular weight of 273.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate is sourced from PubChem (CID 134521270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).