4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C13H25NO4 — CID 65284445

IUPAC4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)O
InChIInChI=1S/C13H25NO4/c1-12(2,3)18-11(17)14-9-8-13(4,5)7-6-10(15)16/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyCFYIQKCUPPEZNX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.79
Rot. Bonds6

About 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 65284445) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID65284445
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)O
InChIInChI=1S/C13H25NO4/c1-12(2,3)18-11(17)14-9-8-13(4,5)7-6-10(15)16/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyCFYIQKCUPPEZNX-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(5-hydroxy-3,3-dimethylpentyl)carbamate
CID 86028262
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]acetic acid
CID 5074020
tert-butyl N-(5-bromo-3,3,5-trimethylhexyl)carbamate
CID 166705207
4,4-dimethyl-6-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 65285527
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-oxohexanoic acid
CID 114518044
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]heptanedioic acid
CID 177138583

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 65284445) is 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(CCNC(=O)OC(C)(C)C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is CFYIQKCUPPEZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,3)18-11(17)14-9-8-13(4,5)7-6-10(15)16/h6-9H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 65284445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).