ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate

C14H27NO4 — CID 134521117

IUPACethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate
SMILESCCOC(=O)CC(CC)N(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C14H27NO4/c1-7-11(10-12(16)18-8-2)15(14(4,5)6)13(17)19-9-3/h11H,7-10H2,1-6H3
InChIKeyYQABNDHRMPTXJI-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.98
Rot. Bonds6

About ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate

ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate (PubChem CID 134521117) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate
PubChem CID134521117
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate
SMILESCCOC(=O)CC(CC)N(C(=O)OCC)C(C)(C)C
InChIInChI=1S/C14H27NO4/c1-7-11(10-12(16)18-8-2)15(14(4,5)6)13(17)19-9-3/h11H,7-10H2,1-6H3
InChIKeyYQABNDHRMPTXJI-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[tert-butyl(ethoxycarbonyl)amino]hexanoic acid
CID 175072622
ethyl 3-[ethoxycarbonyl(ethyl)amino]-4,4-dimethylpentanoate
CID 134521270
ethyl 3-tert-butyl-4,4-dimethylpentanoate
CID 22372628
ethyl N-pentan-3-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 64591828
ethyl (3R)-3-methylpentanoate
CID 7567160
ethyl N-(1-chlorobutan-2-yl)-N-methylcarbamate
CID 54188517
ethyl 3-(dimethylamino)butanoate
CID 3020377
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
diethyl 2,2,3-trimethylpentanedioate
CID 13244610
ethyl (3S)-4,4-difluoro-3-hydroxypentanoate
CID 122595250
bis[tert-butyl(ethoxycarbonyl)amino] carbonate
CID 87355631
ethyl 3-methyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 10682716

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate?
The IUPAC name of ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate (CID 134521117) is ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate.
What is the SMILES notation for ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate?
The canonical SMILES for ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate is CCOC(=O)CC(CC)N(C(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate?
The InChIKey is YQABNDHRMPTXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-7-11(10-12(16)18-8-2)15(14(4,5)6)13(17)19-9-3/h11H,7-10H2,1-6H3.
What are the key properties of ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate?
ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate has a molecular weight of 273.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[tert-butyl(ethoxycarbonyl)amino]pentanoate is sourced from PubChem (CID 134521117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).