8-(2-methylbutan-2-yloxycarbonylamino)octanoate

C14H26NO4- — CID 155764709

IUPAC8-(2-methylbutan-2-yloxycarbonylamino)octanoate
SMILESCCC(C)(C)OC(=O)NCCCCCCCC(=O)[O-]
InChIInChI=1S/C14H27NO4/c1-4-14(2,3)19-13(18)15-11-9-7-5-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)/p-1
InChIKeyWBEMVBMFYAZFRF-UHFFFAOYSA-M
MW272.36 g/mol
LogP1.99
Rot. Bonds10

About 8-(2-methylbutan-2-yloxycarbonylamino)octanoate

8-(2-methylbutan-2-yloxycarbonylamino)octanoate (PubChem CID 155764709) has the molecular formula C14H26NO4- and a molecular weight of 272.36 g/mol. Its IUPAC name is 8-(2-methylbutan-2-yloxycarbonylamino)octanoate.

Molecular Properties

Compound Name8-(2-methylbutan-2-yloxycarbonylamino)octanoate
PubChem CID155764709
Molecular FormulaC14H26NO4-
Molecular Weight272.36 g/mol
Exact Mass272.19
IUPAC Name8-(2-methylbutan-2-yloxycarbonylamino)octanoate
SMILESCCC(C)(C)OC(=O)NCCCCCCCC(=O)[O-]
InChIInChI=1S/C14H27NO4/c1-4-14(2,3)19-13(18)15-11-9-7-5-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)/p-1
InChIKeyWBEMVBMFYAZFRF-UHFFFAOYSA-M
XLogP1.99
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methylbutan-2-yl N-nonylcarbamate;molecular hydrogen;propane
CID 144560369
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoic acid
CID 91098300
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-nonylcarbamate;ethane
CID 168941348
6-(2,5-dimethylhexan-2-yloxycarbonylamino)hexanoic acid
CID 135192611
bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl] butanedioate
CID 175487122
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
dodecanoyl 12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 88506811
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoate
CID 22106907
tetrakis(decanoate);osmium(4+)
CID 162078983
lithium;6-(methylcarbamoylamino)hexanoate;phosphanide
CID 59895303

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylbutan-2-yloxycarbonylamino)octanoate?
The IUPAC name of 8-(2-methylbutan-2-yloxycarbonylamino)octanoate (CID 155764709) is 8-(2-methylbutan-2-yloxycarbonylamino)octanoate.
What is the SMILES notation for 8-(2-methylbutan-2-yloxycarbonylamino)octanoate?
The canonical SMILES for 8-(2-methylbutan-2-yloxycarbonylamino)octanoate is CCC(C)(C)OC(=O)NCCCCCCCC(=O)[O-].
What is the InChIKey of 8-(2-methylbutan-2-yloxycarbonylamino)octanoate?
The InChIKey is WBEMVBMFYAZFRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H27NO4/c1-4-14(2,3)19-13(18)15-11-9-7-5-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)/p-1.
What are the key properties of 8-(2-methylbutan-2-yloxycarbonylamino)octanoate?
8-(2-methylbutan-2-yloxycarbonylamino)octanoate has a molecular weight of 272.36 g/mol, XLogP of 1.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylbutan-2-yloxycarbonylamino)octanoate is sourced from PubChem (CID 155764709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).