2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C13H25NO4 — CID 59028266

IUPAC2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)CCC(C)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-9(2)7-8-13(6,10(15)16)14-11(17)18-12(3,4)5/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyUNNCSJCXKICLIJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.79
Rot. Bonds5

About 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 59028266) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID59028266
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)CCC(C)(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C13H25NO4/c1-9(2)7-8-13(6,10(15)16)14-11(17)18-12(3,4)5/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyUNNCSJCXKICLIJ-UHFFFAOYSA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724
5-amino-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 10752948
(2R)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 148575187
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-ynoic acid
CID 87242771
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 53398095
2-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 123923591
2,5-dimethyl-2-(3-methylpentan-2-ylamino)hexanoic acid
CID 114998058
(2R)-2-hydroxy-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 57066489
2-(cyclopropylmethylamino)-2,5-dimethylhexanoic acid
CID 61001959
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 174941723

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 59028266) is 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)CCC(C)(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is UNNCSJCXKICLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)7-8-13(6,10(15)16)14-11(17)18-12(3,4)5/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 59028266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).