ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

C14H27NO4 — CID 170262393

IUPACethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SMILESCCOC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-7-18-12(16)11(9-8-10(2)3)15-13(17)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)
InChIKeyCYPPTRGVYQNQOO-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.88
Rot. Bonds6

About ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (PubChem CID 170262393) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
PubChem CID170262393
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
SMILESCCOC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-7-18-12(16)11(9-8-10(2)3)15-13(17)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17)
InChIKeyCYPPTRGVYQNQOO-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-4-[(3S)-4-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 27282191
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxohexanoate
CID 76818520
ethyl (2S)-5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 163278641
4-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutane-1-sulfonic acid
CID 23615126
ethyl (2R)-6-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 11221424
ethyl 5-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 174693883
ethyl 12-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 19930840
ethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylpropanoate
CID 89022620
ethyl 4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 170900777
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoate
CID 11831564
1-O-ethyl 4-O-methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 171364156
ethyl (2S)-4,4,4-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 155904954

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The IUPAC name of ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate (CID 170262393) is ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The canonical SMILES for ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is CCOC(=O)C(CCC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
The InChIKey is CYPPTRGVYQNQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-7-18-12(16)11(9-8-10(2)3)15-13(17)19-14(4,5)6/h10-11H,7-9H2,1-6H3,(H,15,17).
What are the key properties of ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate?
ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate has a molecular weight of 273.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is sourced from PubChem (CID 170262393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).