ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

C15H29NO4 — CID 134521114

IUPACethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCCCCN(C(=O)OC(C)(C)C)C(C)CC(=O)OCC
InChIInChI=1S/C15H29NO4/c1-7-9-10-16(14(18)20-15(4,5)6)12(3)11-13(17)19-8-2/h12H,7-11H2,1-6H3
InChIKeyHKKRJNXGFMMTGL-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds7

About ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (PubChem CID 134521114) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
PubChem CID134521114
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Nameethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
SMILESCCCCN(C(=O)OC(C)(C)C)C(C)CC(=O)OCC
InChIInChI=1S/C15H29NO4/c1-7-9-10-16(14(18)20-15(4,5)6)12(3)11-13(17)19-8-2/h12H,7-11H2,1-6H3
InChIKeyHKKRJNXGFMMTGL-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,4-difluorobutanoate
CID 155731742
Ethyl 2,3,4-trifluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 175343011
1-O-tert-butyl 3-O-methyl 3-fluoro-2-methylazetidine-1,3-dicarboxylate
CID 178087944
Methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxobutyl)amino]propanoate
CID 10423424
trans-ethyl (1R,2R)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate
CID 102189667
Methyl 3-[(ethoxycarbonyl)(propan-2-yl)amino]-2-methylpropanoate
CID 243301
Ethyl 3-[(3-ethoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 9926973
ethyl 3-(N-Boc-N-methylamino)propionate
CID 13896291
Ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate
CID 15521923
Ethyl 3-[ethoxycarbonyl-(3-ethoxy-3-oxopropyl)amino]butanoate
CID 15696583
3-[Cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl acetate
CID 19082956
Methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 20610669

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The IUPAC name of ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate (CID 134521114) is ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate.
What is the SMILES notation for ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The canonical SMILES for ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is CCCCN(C(=O)OC(C)(C)C)C(C)CC(=O)OCC.
What is the InChIKey of ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
The InChIKey is HKKRJNXGFMMTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO4/c1-7-9-10-16(14(18)20-15(4,5)6)12(3)11-13(17)19-8-2/h12H,7-11H2,1-6H3.
What are the key properties of ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate?
ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate has a molecular weight of 287.40 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate is sourced from PubChem (CID 134521114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).